2-N-(4-methylphenyl)propane-1,2-diamine

C10H16N2 — CID 12693167

IUPAC2-N-(4-methylphenyl)propane-1,2-diamine
SMILESCc1ccc(NC(C)CN)cc1
InChIInChI=1S/C10H16N2/c1-8-3-5-10(6-4-8)12-9(2)7-11/h3-6,9,12H,7,11H2,1-2H3
InChIKeyUWNXTNZKAFFQMV-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.75
Rot. Bonds3

About 2-N-(4-methylphenyl)propane-1,2-diamine

2-N-(4-methylphenyl)propane-1,2-diamine (PubChem CID 12693167) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-N-(4-methylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methylphenyl)propane-1,2-diamine
PubChem CID12693167
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-N-(4-methylphenyl)propane-1,2-diamine
SMILESCc1ccc(NC(C)CN)cc1
InChIInChI=1S/C10H16N2/c1-8-3-5-10(6-4-8)12-9(2)7-11/h3-6,9,12H,7,11H2,1-2H3
InChIKeyUWNXTNZKAFFQMV-UHFFFAOYSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-N-(4-methylphenyl)propane-1,2-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

2-N-(4-propan-2-ylphenyl)propane-1,2-diamine
CID 103387154
2-N-(4-chlorophenyl)propane-1,2-diamine
CID 55267436
3-methyl-2-N-(4-methylphenyl)pentane-1,2-diamine
CID 65377551
N-[4-(1-aminopropan-2-ylamino)phenyl]methanesulfonamide
CID 103388606
4-(1-aminopropan-2-ylamino)benzoic acid
CID 103387752
1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine
CID 87484866
ethyl 4-(1-aminopropan-2-ylamino)benzoate
CID 103387755
3-(4-methylanilino)butanethial
CID 18924448
2-N-(4-bromo-3-methylphenyl)propane-1,2-diamine
CID 103387117
2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine
CID 82503971
1-[4-(1-aminopropan-2-ylamino)phenyl]-3-methylurea
CID 103388916
(4S)-4-(4-methylanilino)pentan-1-ol
CID 94830686

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylphenyl)propane-1,2-diamine?
The IUPAC name of 2-N-(4-methylphenyl)propane-1,2-diamine (CID 12693167) is 2-N-(4-methylphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(4-methylphenyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(4-methylphenyl)propane-1,2-diamine is Cc1ccc(NC(C)CN)cc1.
What is the InChIKey of 2-N-(4-methylphenyl)propane-1,2-diamine?
The InChIKey is UWNXTNZKAFFQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-3-5-10(6-4-8)12-9(2)7-11/h3-6,9,12H,7,11H2,1-2H3.
What are the key properties of 2-N-(4-methylphenyl)propane-1,2-diamine?
2-N-(4-methylphenyl)propane-1,2-diamine has a molecular weight of 164.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylphenyl)propane-1,2-diamine is sourced from PubChem (CID 12693167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).