(2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine

C11H18N2 — CID 104867967

IUPAC(2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine
SMILESCc1ccccc1CN[C@H](C)CN
InChIInChI=1S/C11H18N2/c1-9-5-3-4-6-11(9)8-13-10(2)7-12/h3-6,10,13H,7-8,12H2,1-2H3/t10-/m1/s1
InChIKeyPRKXTUCYOSUMHM-SNVBAGLBSA-N
MW178.28 g/mol
LogP1.43
Rot. Bonds4

About (2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine

(2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine (PubChem CID 104867967) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine
PubChem CID104867967
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine
SMILESCc1ccccc1CN[C@H](C)CN
InChIInChI=1S/C11H18N2/c1-9-5-3-4-6-11(9)8-13-10(2)7-12/h3-6,10,13H,7-8,12H2,1-2H3/t10-/m1/s1
InChIKeyPRKXTUCYOSUMHM-SNVBAGLBSA-N
XLogP1.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-N-[(2-methylphenyl)methyl]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

N-[(2-methylphenyl)methyl]butan-2-amine chloride
CID 19629109
(2R)-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine
CID 104867977
(2R)-1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine
CID 791949
(2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
CID 106703552
2-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propane-1,2-diamine
CID 103387459
(2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine
CID 104867958
2-N-[[2-(diethylaminomethyl)phenyl]methyl]propane-1,2-diamine
CID 103387469
(2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine
CID 104868300
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 62136472
2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
CID 114553095
4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine
CID 60913277
(2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
CID 104868148

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine?
The IUPAC name of (2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine (CID 104867967) is (2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine is Cc1ccccc1CN[C@H](C)CN.
What is the InChIKey of (2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine?
The InChIKey is PRKXTUCYOSUMHM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N2/c1-9-5-3-4-6-11(9)8-13-10(2)7-12/h3-6,10,13H,7-8,12H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine?
(2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine has a molecular weight of 178.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 104867967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).