N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine

C18H24N2O — CID 28770871

IUPACN'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
SMILESCOc1ccccc1N(CCCN)Cc1cccc(C)c1
InChIInChI=1S/C18H24N2O/c1-15-7-5-8-16(13-15)14-20(12-6-11-19)17-9-3-4-10-18(17)21-2/h3-5,7-10,13H,6,11-12,14,19H2,1-2H3
InChIKeyOHFKGFXPIGKTRH-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.36
Rot. Bonds7

About N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine

N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine (PubChem CID 28770871) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
PubChem CID28770871
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
SMILESCOc1ccccc1N(CCCN)Cc1cccc(C)c1
InChIInChI=1S/C18H24N2O/c1-15-7-5-8-16(13-15)14-20(12-6-11-19)17-9-3-4-10-18(17)21-2/h3-5,7-10,13H,6,11-12,14,19H2,1-2H3
InChIKeyOHFKGFXPIGKTRH-UHFFFAOYSA-N
XLogP3.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]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

Related Compounds

N'-(2-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79262674
N'-(3-fluoropropyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 81106907
N'-(2-chlorophenyl)-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 28771686
N'-(2-methoxyphenyl)-N'-octylpropane-1,3-diamine
CID 43319172
N'-(3,3-dimethylbutyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
CID 61481368
N'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 63285263
4-[N-(3-aminopropyl)-2-methoxyanilino]-2-methylbutan-2-ol
CID 79359732
N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 28770483
1-(2-methoxyphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 61413987
N'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 61029753
N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine
CID 61411443
3-(N-acetyl-2-methoxyanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113128722

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine (CID 28770871) is N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine is COc1ccccc1N(CCCN)Cc1cccc(C)c1.
What is the InChIKey of N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine?
The InChIKey is OHFKGFXPIGKTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-15-7-5-8-16(13-15)14-20(12-6-11-19)17-9-3-4-10-18(17)21-2/h3-5,7-10,13H,6,11-12,14,19H2,1-2H3.
What are the key properties of N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine?
N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine has a molecular weight of 284.40 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 28770871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).