(1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine

C10H15ClN2 — CID 130854028

IUPAC(1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine
SMILESCc1cccc(Cl)c1[C@@H](N)CCN
InChIInChI=1S/C10H15ClN2/c1-7-3-2-4-8(11)10(7)9(13)5-6-12/h2-4,9H,5-6,12-13H2,1H3/t9-/m0/s1
InChIKeyCOPIRHMTFDHYSI-VIFPVBQESA-N
MW198.70 g/mol
LogP2.00
Rot. Bonds3

About (1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine

(1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine (PubChem CID 130854028) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is (1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name(1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine
PubChem CID130854028
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name(1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine
SMILESCc1cccc(Cl)c1[C@@H](N)CCN
InChIInChI=1S/C10H15ClN2/c1-7-3-2-4-8(11)10(7)9(13)5-6-12/h2-4,9H,5-6,12-13H2,1H3/t9-/m0/s1
InChIKeyCOPIRHMTFDHYSI-VIFPVBQESA-N
XLogP2.00
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(2-chloro-6-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

Related Compounds

(1S)-1-(2-chloro-6-methylphenyl)-3-fluoropropan-1-amine
CID 131449010
(1S)-1-(2-chloro-6-methylphenyl)butan-1-amine
CID 131080985
(3R)-3-amino-3-(2-chloro-6-methylphenyl)propan-1-ol
CID 55264930
(1R)-1-(2-chloro-6-methylphenyl)hexan-1-amine;hydrochloride
CID 171210725
(1S)-1-(2-chloro-6-methylphenyl)-2-cyclopropylethanamine
CID 131212960
(1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171197917
(1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine
CID 171223884
(1S)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171217426
1-(2,6-dichlorophenyl)butan-1-amine
CID 112693515
(1S)-1-(2,6-dichlorophenyl)butan-1-amine
CID 130714755
(1S)-1-(2,6-dichlorophenyl)butan-1-amine;hydrochloride
CID 171217430
1-(2,6-dichlorophenyl)-4-methylpentan-1-amine
CID 112704553

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine?
The IUPAC name of (1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine (CID 130854028) is (1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for (1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine?
The canonical SMILES for (1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine is Cc1cccc(Cl)c1[C@@H](N)CCN.
What is the InChIKey of (1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine?
The InChIKey is COPIRHMTFDHYSI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15ClN2/c1-7-3-2-4-8(11)10(7)9(13)5-6-12/h2-4,9H,5-6,12-13H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine?
(1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine has a molecular weight of 198.70 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 130854028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).