N'-(2-chloro-4-methylphenyl)ethane-1,2-diamine

C9H13ClN2 — CID 82504176

IUPACN'-(2-chloro-4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(NCCN)c(Cl)c1
InChIInChI=1S/C9H13ClN2/c1-7-2-3-9(8(10)6-7)12-5-4-11/h2-3,6,12H,4-5,11H2,1H3
InChIKeyQMSUVCSERRHACC-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.02
Rot. Bonds3

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

N'-(2-chloro-4-methylphenyl)ethane-1,2-diamine (PubChem CID 82504176) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is N'-(2-chloro-4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-chloro-4-methylphenyl)ethane-1,2-diamine
PubChem CID82504176
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC NameN'-(2-chloro-4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(NCCN)c(Cl)c1
InChIInChI=1S/C9H13ClN2/c1-7-2-3-9(8(10)6-7)12-5-4-11/h2-3,6,12H,4-5,11H2,1H3
InChIKeyQMSUVCSERRHACC-UHFFFAOYSA-N
XLogP2.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 12666397
2-chloro-N-decyl-4-methylaniline
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2-N-(2-aminoethyl)-4-methylbenzene-1,2-diamine
CID 23104425
4-(2-aminoethylamino)-3-chlorobenzamide
CID 63092115
2-chloro-4-methyl-N-[(2,3,6-trichlorophenyl)methyl]aniline
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2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841500
2-chloro-N-[(2,6-difluorophenyl)methyl]-4-methylaniline
CID 28967830
5-(2-chloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064045
2-chloro-4-methyl-N-(3-methylbut-2-enyl)aniline
CID 103604374
2-(2-chloro-4-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
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CID 63265079

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-chloro-4-methylphenyl)ethane-1,2-diamine (CID 82504176) is N'-(2-chloro-4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-chloro-4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-chloro-4-methylphenyl)ethane-1,2-diamine is Cc1ccc(NCCN)c(Cl)c1.
What is the InChIKey of N'-(2-chloro-4-methylphenyl)ethane-1,2-diamine?
The InChIKey is QMSUVCSERRHACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-7-2-3-9(8(10)6-7)12-5-4-11/h2-3,6,12H,4-5,11H2,1H3.
What are the key properties of N'-(2-chloro-4-methylphenyl)ethane-1,2-diamine?
N'-(2-chloro-4-methylphenyl)ethane-1,2-diamine has a molecular weight of 184.67 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 82504176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).