ethane;N'-(3-ethylphenyl)-N,N-dimethyl-N'-(2-phenylethyl)propane-1,3-diamine

C23H36N2 — CID 143170107

IUPACethane;N'-(3-ethylphenyl)-N,N-dimethyl-N'-(2-phenylethyl)propane-1,3-diamine
SMILESCC.CCc1cccc(N(CCCN(C)C)CCc2ccccc2)c1
InChIInChI=1S/C21H30N2.C2H6/c1-4-19-12-8-13-21(18-19)23(16-9-15-22(2)3)17-14-20-10-6-5-7-11-20;1-2/h5-8,10-13,18H,4,9,14-17H2,1-3H3;1-2H3
InChIKeyZNACKTQICJFVNZ-UHFFFAOYSA-N
MW340.56 g/mol
LogP5.28
Rot. Bonds9

About ethane;N'-(3-ethylphenyl)-N,N-dimethyl-N'-(2-phenylethyl)propane-1,3-diamine

ethane;N'-(3-ethylphenyl)-N,N-dimethyl-N'-(2-phenylethyl)propane-1,3-diamine (PubChem CID 143170107) has the molecular formula C23H36N2 and a molecular weight of 340.56 g/mol. Its IUPAC name is ethane;N'-(3-ethylphenyl)-N,N-dimethyl-N'-(2-phenylethyl)propane-1,3-diamine.

Molecular Properties

Compound Nameethane;N'-(3-ethylphenyl)-N,N-dimethyl-N'-(2-phenylethyl)propane-1,3-diamine
PubChem CID143170107
Molecular FormulaC23H36N2
Molecular Weight340.56 g/mol
Exact Mass340.29
IUPAC Nameethane;N'-(3-ethylphenyl)-N,N-dimethyl-N'-(2-phenylethyl)propane-1,3-diamine
SMILESCC.CCc1cccc(N(CCCN(C)C)CCc2ccccc2)c1
InChIInChI=1S/C21H30N2.C2H6/c1-4-19-12-8-13-21(18-19)23(16-9-15-22(2)3)17-14-20-10-6-5-7-11-20;1-2/h5-8,10-13,18H,4,9,14-17H2,1-3H3;1-2H3
InChIKeyZNACKTQICJFVNZ-UHFFFAOYSA-N
XLogP5.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.56
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 70827105
2-(3-ethylphenyl)-N,N-dimethylethanamine
CID 68500116
3-chloro-N,N-bis(2-phenylethyl)aniline
CID 3851845
N-butyl-3-nitro-N-(2-phenylethyl)aniline
CID 5152973
N'-(2-benzylsulfanylethyl)-N,N-dimethyl-N'-phenylpropane-1,3-diamine
CID 118585144
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 91610944
2-[3-(dimethylamino)propyl-(2-phenylethyl)amino]benzaldehyde
CID 54021623
N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine
CID 2059221
2-[3-(dibutylamino)phenyl]ethanol
CID 101199746
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
N'-benzyl-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;butane;ethane
CID 143170387
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731

Frequently Asked Questions

What is the IUPAC name of ethane;N'-(3-ethylphenyl)-N,N-dimethyl-N'-(2-phenylethyl)propane-1,3-diamine?
The IUPAC name of ethane;N'-(3-ethylphenyl)-N,N-dimethyl-N'-(2-phenylethyl)propane-1,3-diamine (CID 143170107) is ethane;N'-(3-ethylphenyl)-N,N-dimethyl-N'-(2-phenylethyl)propane-1,3-diamine.
What is the SMILES notation for ethane;N'-(3-ethylphenyl)-N,N-dimethyl-N'-(2-phenylethyl)propane-1,3-diamine?
The canonical SMILES for ethane;N'-(3-ethylphenyl)-N,N-dimethyl-N'-(2-phenylethyl)propane-1,3-diamine is CC.CCc1cccc(N(CCCN(C)C)CCc2ccccc2)c1.
What is the InChIKey of ethane;N'-(3-ethylphenyl)-N,N-dimethyl-N'-(2-phenylethyl)propane-1,3-diamine?
The InChIKey is ZNACKTQICJFVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2.C2H6/c1-4-19-12-8-13-21(18-19)23(16-9-15-22(2)3)17-14-20-10-6-5-7-11-20;1-2/h5-8,10-13,18H,4,9,14-17H2,1-3H3;1-2H3.
What are the key properties of ethane;N'-(3-ethylphenyl)-N,N-dimethyl-N'-(2-phenylethyl)propane-1,3-diamine?
ethane;N'-(3-ethylphenyl)-N,N-dimethyl-N'-(2-phenylethyl)propane-1,3-diamine has a molecular weight of 340.56 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-(3-ethylphenyl)-N,N-dimethyl-N'-(2-phenylethyl)propane-1,3-diamine is sourced from PubChem (CID 143170107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).