N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine

C18H24N2 — CID 43098055

IUPACN'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine
SMILESCCN(CCC(N)c1ccccc1)c1ccccc1C
InChIInChI=1S/C18H24N2/c1-3-20(18-12-8-7-9-15(18)2)14-13-17(19)16-10-5-4-6-11-16/h4-12,17H,3,13-14,19H2,1-2H3
InChIKeyJYGYLVPFXLSPJI-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.91
Rot. Bonds6

About N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine

N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine (PubChem CID 43098055) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine
PubChem CID43098055
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine
SMILESCCN(CCC(N)c1ccccc1)c1ccccc1C
InChIInChI=1S/C18H24N2/c1-3-20(18-12-8-7-9-15(18)2)14-13-17(19)16-10-5-4-6-11-16/h4-12,17H,3,13-14,19H2,1-2H3
InChIKeyJYGYLVPFXLSPJI-UHFFFAOYSA-N
XLogP3.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N'-(2-methylphenyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 63484319
1-(3-chlorophenyl)-N'-ethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 63483059
N'-ethyl-N'-(2-fluorophenyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62618774
1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine
CID 63493331
1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine
CID 62618887
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
methyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate
CID 63030085
N'-ethyl-N'-(2-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 60843081
4-(N-ethyl-2-methylanilino)-2-(propylamino)butan-1-ol
CID 64790184
N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine
CID 63322236
N'-ethyl-N'-(2-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine
CID 113279380
methyl 4-(N-ethyl-2-methylanilino)-2-(propylamino)butanoate
CID 63030284

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine (CID 43098055) is N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine is CCN(CCC(N)c1ccccc1)c1ccccc1C.
What is the InChIKey of N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine?
The InChIKey is JYGYLVPFXLSPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-20(18-12-8-7-9-15(18)2)14-13-17(19)16-10-5-4-6-11-16/h4-12,17H,3,13-14,19H2,1-2H3.
What are the key properties of N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine?
N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 43098055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).