N-benzylethanamine;N,N-dimethylethanamine;ethanol;2-ethoxy-1-ethylazetidine;ethoxymethylbenzene;N-(3-ethoxypropyl)acetamide;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;methane;1-methoxy-3-methylbenzene;methyl acetate;N-(pyridin-2-ylmethyl)acetamide;1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;toluene

C143H270F5N17O12 — CID 160780798

About N-benzylethanamine;N,N-dimethylethanamine;ethanol;2-ethoxy-1-ethylazetidine;ethoxymethylbenzene;N-(3-ethoxypropyl)acetamide;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;methane;1-methoxy-3-methylbenzene;methyl acetate;N-(pyridin-2-ylmethyl)acetamide;1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;toluene

N-benzylethanamine;N,N-dimethylethanamine;ethanol;2-ethoxy-1-ethylazetidine;ethoxymethylbenzene;N-(3-ethoxypropyl)acetamide;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;methane;1-methoxy-3-methylbenzene;methyl acetate;N-(pyridin-2-ylmethyl)acetamide;1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;toluene (PubChem CID 160780798) has the molecular formula C143H270F5N17O12 and a molecular weight of 2514.83 g/mol. Its IUPAC name is N-benzylethanamine;N,N-dimethylethanamine;ethanol;2-ethoxy-1-ethylazetidine;ethoxymethylbenzene;N-(3-ethoxypropyl)acetamide;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;methane;1-methoxy-3-methylbenzene;methyl acetate;N-(pyridin-2-ylmethyl)acetamide;1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;toluene.

Molecular Properties

• Compound Name: N-benzylethanamine;N,N-dimethylethanamine;ethanol;2-ethoxy-1-ethylazetidine;ethoxymethylbenzene;N-(3-ethoxypropyl)acetamide;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;methane;1-methoxy-3-methylbenzene;methyl acetate;N-(pyridin-2-ylmethyl)acetamide;1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;toluene
• PubChem CID: 160780798
• Molecular Formula: C143H270F5N17O12
• Molecular Weight: 2514.83 g/mol
• Exact Mass: 2513.10
• IUPAC Name: N-benzylethanamine;N,N-dimethylethanamine;ethanol;2-ethoxy-1-ethylazetidine;ethoxymethylbenzene;N-(3-ethoxypropyl)acetamide;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;methane;1-methoxy-3-methylbenzene;methyl acetate;N-(pyridin-2-ylmethyl)acetamide;1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;toluene
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)N1CCC(N2CCCC2)CC1.CC(=O)N1CCN(c2ccc(F)cc2)CC1.CC(=O)NCc1ccccn1.CCN(C)C.CCN(C)c1ccccn1.CCN1CCC(C(F)(F)F)CC1.CCN1CCC(O)CC1.CCN1CCCCC1.CCN1CCN(c2ccc(F)cc2)CC1.CCNCc1ccccc1.CCO.CCOC1CCN1CC.CCOCCCNC(C)=O.CCOCc1ccccc1.COC(C)=O.COc1cccc(C)c1.Cc1ccccc1
• InChI: InChI=1S/C12H15FN2O.C12H17FN2.C11H20N2O.C9H13N.C9H12O.C8H14F3N.C8H10N2O.C8H12N2.C8H10O.C7H15NO2.2C7H15NO.C7H15N.C7H8.C4H11N.C3H6O2.C2H6O.14CH4/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12;1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12;1-10(14)12-8-4-11(5-9-12)13-6-2-3-7-13;2*1-2-10-8-9-6-4-3-5-7-9;1-2-12-5-3-7(4-6-12)8(9,10)11;1-7(11)10-6-8-4-2-3-5-9-8;1-3-10(2)8-6-4-5-7-9-8;1-7-4-3-5-8(6-7)9-2;1-3-10-6-4-5-8-7(2)9;1-3-8-6-5-7(8)9-4-2;1-2-8-5-3-7(9)4-6-8;1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;1-4-5(2)3;1-3(4)5-2;1-2-3;;;;;;;;;;;;;;/h2-5H,6-9H2,1H3;3-6H,2,7-10H2,1H3;11H,2-9H2,1H3;3-7,10H,2,8H2,1H3;3-7H,2,8H2,1H3;7H,2-6H2,1H3;2-5H,6H2,1H3,(H,10,11);4-7H,3H2,1-2H3;3-6H,1-2H3;3-6H2,1-2H3,(H,8,9);7H,3-6H2,1-2H3;7,9H,2-6H2,1H3;2-7H2,1H3;2-6H,1H3;4H2,1-3H3;1-2H3;3H,2H2,1H3;14*1H4
• InChIKey: SANXCGMMCYSRHR-UHFFFAOYSA-N
• XLogP: 30.34
• TPSA: 272.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2514.83
LogP ≤ 5	30.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-benzylethanamine;N,N-dimethylethanamine;ethanol;2-ethoxy-1-ethylazetidine;ethoxymethylbenzene;N-(3-ethoxypropyl)acetamide;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;methane;1-methoxy-3-methylbenzene;methyl acetate;N-(pyridin-2-ylmethyl)acetamide;1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;toluene?

The IUPAC name of N-benzylethanamine;N,N-dimethylethanamine;ethanol;2-ethoxy-1-ethylazetidine;ethoxymethylbenzene;N-(3-ethoxypropyl)acetamide;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;methane;1-methoxy-3-methylbenzene;methyl acetate;N-(pyridin-2-ylmethyl)acetamide;1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;toluene (CID 160780798) is N-benzylethanamine;N,N-dimethylethanamine;ethanol;2-ethoxy-1-ethylazetidine;ethoxymethylbenzene;N-(3-ethoxypropyl)acetamide;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;methane;1-methoxy-3-methylbenzene;methyl acetate;N-(pyridin-2-ylmethyl)acetamide;1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;toluene.

What is the SMILES notation for N-benzylethanamine;N,N-dimethylethanamine;ethanol;2-ethoxy-1-ethylazetidine;ethoxymethylbenzene;N-(3-ethoxypropyl)acetamide;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;methane;1-methoxy-3-methylbenzene;methyl acetate;N-(pyridin-2-ylmethyl)acetamide;1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;toluene?

The canonical SMILES for N-benzylethanamine;N,N-dimethylethanamine;ethanol;2-ethoxy-1-ethylazetidine;ethoxymethylbenzene;N-(3-ethoxypropyl)acetamide;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;methane;1-methoxy-3-methylbenzene;methyl acetate;N-(pyridin-2-ylmethyl)acetamide;1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;toluene is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)N1CCC(N2CCCC2)CC1.CC(=O)N1CCN(c2ccc(F)cc2)CC1.CC(=O)NCc1ccccn1.CCN(C)C.CCN(C)c1ccccn1.CCN1CCC(C(F)(F)F)CC1.CCN1CCC(O)CC1.CCN1CCCCC1.CCN1CCN(c2ccc(F)cc2)CC1.CCNCc1ccccc1.CCO.CCOC1CCN1CC.CCOCCCNC(C)=O.CCOCc1ccccc1.COC(C)=O.COc1cccc(C)c1.Cc1ccccc1.

What is the InChIKey of N-benzylethanamine;N,N-dimethylethanamine;ethanol;2-ethoxy-1-ethylazetidine;ethoxymethylbenzene;N-(3-ethoxypropyl)acetamide;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;methane;1-methoxy-3-methylbenzene;methyl acetate;N-(pyridin-2-ylmethyl)acetamide;1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;toluene?

The InChIKey is SANXCGMMCYSRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O.C12H17FN2.C11H20N2O.C9H13N.C9H12O.C8H14F3N.C8H10N2O.C8H12N2.C8H10O.C7H15NO2.2C7H15NO.C7H15N.C7H8.C4H11N.C3H6O2.C2H6O.14CH4/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12;1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12;1-10(14)12-8-4-11(5-9-12)13-6-2-3-7-13;2*1-2-10-8-9-6-4-3-5-7-9;1-2-12-5-3-7(4-6-12)8(9,10)11;1-7(11)10-6-8-4-2-3-5-9-8;1-3-10(2)8-6-4-5-7-9-8;1-7-4-3-5-8(6-7)9-2;1-3-10-6-4-5-8-7(2)9;1-3-8-6-5-7(8)9-4-2;1-2-8-5-3-7(9)4-6-8;1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;1-4-5(2)3;1-3(4)5-2;1-2-3;;;;;;;;;;;;;;/h2-5H,6-9H2,1H3;3-6H,2,7-10H2,1H3;11H,2-9H2,1H3;3-7,10H,2,8H2,1H3;3-7H,2,8H2,1H3;7H,2-6H2,1H3;2-5H,6H2,1H3,(H,10,11);4-7H,3H2,1-2H3;3-6H,1-2H3;3-6H2,1-2H3,(H,8,9);7H,3-6H2,1-2H3;7,9H,2-6H2,1H3;2-7H2,1H3;2-6H,1H3;4H2,1-3H3;1-2H3;3H,2H2,1H3;14*1H4.

What are the key properties of N-benzylethanamine;N,N-dimethylethanamine;ethanol;2-ethoxy-1-ethylazetidine;ethoxymethylbenzene;N-(3-ethoxypropyl)acetamide;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;methane;1-methoxy-3-methylbenzene;methyl acetate;N-(pyridin-2-ylmethyl)acetamide;1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;toluene?

N-benzylethanamine;N,N-dimethylethanamine;ethanol;2-ethoxy-1-ethylazetidine;ethoxymethylbenzene;N-(3-ethoxypropyl)acetamide;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;methane;1-methoxy-3-methylbenzene;methyl acetate;N-(pyridin-2-ylmethyl)acetamide;1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;toluene has a molecular weight of 2514.83 g/mol, XLogP of 30.34, 27 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzylethanamine;N,N-dimethylethanamine;ethanol;2-ethoxy-1-ethylazetidine;ethoxymethylbenzene;N-(3-ethoxypropyl)acetamide;1-ethyl-4-(4-fluorophenyl)piperazine;N-ethyl-N-methylpyridin-2-amine;1-ethylpiperidine;1-ethylpiperidin-4-ol;1-ethyl-4-(trifluoromethyl)piperidine;1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone;methane;1-methoxy-3-methylbenzene;methyl acetate;N-(pyridin-2-ylmethyl)acetamide;1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;toluene is sourced from PubChem (CID 160780798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).