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

C18H24N2 — CID 63503025

IUPACN'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine
SMILESCCN(CCCNc1ccccc1)c1ccccc1C
InChIInChI=1S/C18H24N2/c1-3-20(18-13-8-7-10-16(18)2)15-9-14-19-17-11-5-4-6-12-17/h4-8,10-13,19H,3,9,14-15H2,1-2H3
InChIKeyAJWDOPAMMKLZNH-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.32
Rot. Bonds7

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

N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine (PubChem CID 63503025) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine
PubChem CID63503025
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine
SMILESCCN(CCCNc1ccccc1)c1ccccc1C
InChIInChI=1S/C18H24N2/c1-3-20(18-13-8-7-10-16(18)2)15-9-14-19-17-11-5-4-6-12-17/h4-8,10-13,19H,3,9,14-15H2,1-2H3
InChIKeyAJWDOPAMMKLZNH-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-N'-ethyl-N'-(2-methylphenyl)ethane-1,2-diamine
CID 63503202
N'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 63503875
N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine
CID 61386867
N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 62573232
N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 62569298
N'-ethyl-N'-(2-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 60843081
N'-ethyl-N'-(2-methylphenyl)-N-pyrimidin-2-ylethane-1,2-diamine
CID 75415758
N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 62575841
methyl 4-(N-ethyl-2-methylanilino)butanoate
CID 43377722
2-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylguanidine
CID 110925630
3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride
CID 120503065
2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid
CID 106805572

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine (CID 63503025) is N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine is CCN(CCCNc1ccccc1)c1ccccc1C.
What is the InChIKey of N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine?
The InChIKey is AJWDOPAMMKLZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-20(18-13-8-7-10-16(18)2)15-9-14-19-17-11-5-4-6-12-17/h4-8,10-13,19H,3,9,14-15H2,1-2H3.
What are the key properties of N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine?
N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine has a molecular weight of 268.40 g/mol, XLogP of 4.32, 7 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)-N-phenylpropane-1,3-diamine is sourced from PubChem (CID 63503025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).