1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine

C75H119ClF5N5 — CID 164969184

IUPAC1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1ccc(C)c(Cl)c1.CCNC(CC(C)(C)C)c1ccc(C)c(F)c1.CCNC(CC(C)(C)C)c1ccc(C)cc1.CCNC(CC(C)(C)C)c1ccc(C)cc1F.CCNC(CC(C)(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H24ClN.C15H22F3N.2C15H24FN.C15H25N/c1-6-17-14(10-15(3,4)5)12-8-7-11(2)13(16)9-12;1-5-19-13(10-14(2,3)4)11-7-6-8-12(9-11)15(16,17)18;1-6-17-14(10-15(3,4)5)12-8-7-11(2)13(16)9-12;1-6-17-14(10-15(3,4)5)12-8-7-11(2)9-13(12)16;1-6-16-14(11-15(3,4)5)13-9-7-12(2)8-10-13/h7-9,14,17H,6,10H2,1-5H3;6-9,13,19H,5,10H2,1-4H3;2*7-9,14,17H,6,10H2,1-5H3;7-10,14,16H,6,11H2,1-5H3
InChIKeyCWTRPOMWXLGSNL-UHFFFAOYSA-N
MW1221.25 g/mol
LogP22.05
Rot. Bonds20

About 1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine

1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine (PubChem CID 164969184) has the molecular formula C75H119ClF5N5 and a molecular weight of 1221.25 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine
PubChem CID164969184
Molecular FormulaC75H119ClF5N5
Molecular Weight1221.25 g/mol
Exact Mass1219.91
IUPAC Name1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1ccc(C)c(Cl)c1.CCNC(CC(C)(C)C)c1ccc(C)c(F)c1.CCNC(CC(C)(C)C)c1ccc(C)cc1.CCNC(CC(C)(C)C)c1ccc(C)cc1F.CCNC(CC(C)(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H24ClN.C15H22F3N.2C15H24FN.C15H25N/c1-6-17-14(10-15(3,4)5)12-8-7-11(2)13(16)9-12;1-5-19-13(10-14(2,3)4)11-7-6-8-12(9-11)15(16,17)18;1-6-17-14(10-15(3,4)5)12-8-7-11(2)13(16)9-12;1-6-17-14(10-15(3,4)5)12-8-7-11(2)9-13(12)16;1-6-16-14(11-15(3,4)5)13-9-7-12(2)8-10-13/h7-9,14,17H,6,10H2,1-5H3;6-9,13,19H,5,10H2,1-4H3;2*7-9,14,17H,6,10H2,1-5H3;7-10,14,16H,6,11H2,1-5H3
InChIKeyCWTRPOMWXLGSNL-UHFFFAOYSA-N
XLogP22.05
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001221.25
LogP ≤ 522.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;1-(2,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine
CID 161019396
1-(3-chloro-4-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 107560280
1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63891305
[(3-chloro-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301346
1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43487984
N-ethyl-4-[4-[1-(ethylamino)-3,3-dimethylbutyl]-3-methylphenyl]-3,3-dimethyl-1-(3-methylphenyl)butan-1-amine
CID 146620917
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 107560383
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 107560395
N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 82920537
3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine
CID 63889825
3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol
CID 65234936

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine (CID 164969184) is 1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine is CCNC(CC(C)(C)C)c1ccc(C)c(Cl)c1.CCNC(CC(C)(C)C)c1ccc(C)c(F)c1.CCNC(CC(C)(C)C)c1ccc(C)cc1.CCNC(CC(C)(C)C)c1ccc(C)cc1F.CCNC(CC(C)(C)C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine?
The InChIKey is CWTRPOMWXLGSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN.C15H22F3N.2C15H24FN.C15H25N/c1-6-17-14(10-15(3,4)5)12-8-7-11(2)13(16)9-12;1-5-19-13(10-14(2,3)4)11-7-6-8-12(9-11)15(16,17)18;1-6-17-14(10-15(3,4)5)12-8-7-11(2)13(16)9-12;1-6-17-14(10-15(3,4)5)12-8-7-11(2)9-13(12)16;1-6-16-14(11-15(3,4)5)13-9-7-12(2)8-10-13/h7-9,14,17H,6,10H2,1-5H3;6-9,13,19H,5,10H2,1-4H3;2*7-9,14,17H,6,10H2,1-5H3;7-10,14,16H,6,11H2,1-5H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine?
1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine has a molecular weight of 1221.25 g/mol, XLogP of 22.05, 20 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 164969184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).