1-(4-chloro-3-methylphenyl)ethane-1,2-diamine

C9H13ClN2 — CID 55274034

IUPAC1-(4-chloro-3-methylphenyl)ethane-1,2-diamine
SMILESCc1cc(C(N)CN)ccc1Cl
InChIInChI=1S/C9H13ClN2/c1-6-4-7(9(12)5-11)2-3-8(6)10/h2-4,9H,5,11-12H2,1H3
InChIKeyFOBYUSYKPJDZCW-UHFFFAOYSA-N
MW184.67 g/mol
LogP1.61
Rot. Bonds2

About 1-(4-chloro-3-methylphenyl)ethane-1,2-diamine

1-(4-chloro-3-methylphenyl)ethane-1,2-diamine (PubChem CID 55274034) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)ethane-1,2-diamine
PubChem CID55274034
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name1-(4-chloro-3-methylphenyl)ethane-1,2-diamine
SMILESCc1cc(C(N)CN)ccc1Cl
InChIInChI=1S/C9H13ClN2/c1-6-4-7(9(12)5-11)2-3-8(6)10/h2-4,9H,5,11-12H2,1H3
InChIKeyFOBYUSYKPJDZCW-UHFFFAOYSA-N
XLogP1.61
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methylphenyl)propan-1-amine
CID 15594744
(1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine
CID 171231485
(1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol
CID 95944344
1-(3-amino-4-chlorophenyl)ethane-1,2-diamine
CID 77130858
(1S)-1-(3-amino-4-chlorophenyl)ethane-1,2-diamine
CID 66516677
1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828896
(1R)-1-(4-chloro-3-methylphenyl)-3-methylbut-3-en-1-amine
CID 131625308
4-[(1S)-1,2-diaminoethyl]-2-methylphenol;hydrochloride
CID 171213095
2-(azetidin-1-yl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 175078061
(1S)-1-(4-amino-3-chlorophenyl)ethane-1,2-diamine
CID 66516675
3-(4-chloro-3-methylphenyl)butan-1-amine
CID 82398517
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)ethane-1,2-diamine (CID 55274034) is 1-(4-chloro-3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)ethane-1,2-diamine is Cc1cc(C(N)CN)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)ethane-1,2-diamine?
The InChIKey is FOBYUSYKPJDZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-6-4-7(9(12)5-11)2-3-8(6)10/h2-4,9H,5,11-12H2,1H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)ethane-1,2-diamine?
1-(4-chloro-3-methylphenyl)ethane-1,2-diamine has a molecular weight of 184.67 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 55274034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).