N'-ethyl-N'-(furan-2-ylmethyl)-1-(2-methylphenyl)propane-1,3-diamine

C17H24N2O — CID 62623076

IUPACN'-ethyl-N'-(furan-2-ylmethyl)-1-(2-methylphenyl)propane-1,3-diamine
SMILESCCN(CCC(N)c1ccccc1C)Cc1ccco1
InChIInChI=1S/C17H24N2O/c1-3-19(13-15-8-6-12-20-15)11-10-17(18)16-9-5-4-7-14(16)2/h4-9,12,17H,3,10-11,13,18H2,1-2H3
InChIKeyALFJRNOVUMSEOA-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.50
Rot. Bonds7

About N'-ethyl-N'-(furan-2-ylmethyl)-1-(2-methylphenyl)propane-1,3-diamine

N'-ethyl-N'-(furan-2-ylmethyl)-1-(2-methylphenyl)propane-1,3-diamine (PubChem CID 62623076) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N'-ethyl-N'-(furan-2-ylmethyl)-1-(2-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(furan-2-ylmethyl)-1-(2-methylphenyl)propane-1,3-diamine
PubChem CID62623076
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN'-ethyl-N'-(furan-2-ylmethyl)-1-(2-methylphenyl)propane-1,3-diamine
SMILESCCN(CCC(N)c1ccccc1C)Cc1ccco1
InChIInChI=1S/C17H24N2O/c1-3-19(13-15-8-6-12-20-15)11-10-17(18)16-9-5-4-7-14(16)2/h4-9,12,17H,3,10-11,13,18H2,1-2H3
InChIKeyALFJRNOVUMSEOA-UHFFFAOYSA-N
XLogP3.50
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-ethyl-N'-(furan-2-ylmethyl)-1-(2-methylphenyl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(furan-2-ylmethyl)-1-(2-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(furan-2-ylmethyl)-1-(2-methylphenyl)propane-1,3-diamine (CID 62623076) is N'-ethyl-N'-(furan-2-ylmethyl)-1-(2-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(furan-2-ylmethyl)-1-(2-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(furan-2-ylmethyl)-1-(2-methylphenyl)propane-1,3-diamine is CCN(CCC(N)c1ccccc1C)Cc1ccco1.
What is the InChIKey of N'-ethyl-N'-(furan-2-ylmethyl)-1-(2-methylphenyl)propane-1,3-diamine?
The InChIKey is ALFJRNOVUMSEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-19(13-15-8-6-12-20-15)11-10-17(18)16-9-5-4-7-14(16)2/h4-9,12,17H,3,10-11,13,18H2,1-2H3.
What are the key properties of N'-ethyl-N'-(furan-2-ylmethyl)-1-(2-methylphenyl)propane-1,3-diamine?
N'-ethyl-N'-(furan-2-ylmethyl)-1-(2-methylphenyl)propane-1,3-diamine has a molecular weight of 272.39 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(furan-2-ylmethyl)-1-(2-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 62623076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).