(Z)-1-(3-chloro-2-methylphenyl)ethene-1,2-diamine

C9H11ClN2 — CID 144603923

IUPAC(Z)-1-(3-chloro-2-methylphenyl)ethene-1,2-diamine
SMILESCc1c(Cl)cccc1/C(N)=C/N
InChIInChI=1S/C9H11ClN2/c1-6-7(9(12)5-11)3-2-4-8(6)10/h2-5H,11-12H2,1H3/b9-5-
InChIKeyBFZHYOPDTCZUDE-UITAMQMPSA-N
MW182.65 g/mol
LogP1.86
Rot. Bonds1

About (Z)-1-(3-chloro-2-methylphenyl)ethene-1,2-diamine

(Z)-1-(3-chloro-2-methylphenyl)ethene-1,2-diamine (PubChem CID 144603923) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is (Z)-1-(3-chloro-2-methylphenyl)ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-(3-chloro-2-methylphenyl)ethene-1,2-diamine
PubChem CID144603923
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name(Z)-1-(3-chloro-2-methylphenyl)ethene-1,2-diamine
SMILESCc1c(Cl)cccc1/C(N)=C/N
InChIInChI=1S/C9H11ClN2/c1-6-7(9(12)5-11)3-2-4-8(6)10/h2-5H,11-12H2,1H3/b9-5-
InChIKeyBFZHYOPDTCZUDE-UITAMQMPSA-N
XLogP1.86
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(Z)-1-(3-chloro-2-methylphenyl)but-2-en-1-one
CID 146568729
3-chloro-N-methoxy-2-methylbenzamide
CID 107097630
2-(3-chloro-2-methylphenyl)guanidine
CID 45496576
2-(3-chloro-2-methylanilino)benzenecarbothioamide
CID 29053926
(3-chloro-2-methylphenyl)-pyrrolidin-1-ylmethanone;ethane
CID 170773608
(3-chloro-2-methylphenyl)-(3,5-dichlorophenyl)methanone
CID 146005790
(2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 25257909
N-(2-carbamothioylphenyl)-3-chloro-N,2-dimethylbenzamide
CID 107096857
(3-chloro-2-methylphenyl)-cycloheptylmethanone
CID 107101795

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-chloro-2-methylphenyl)ethene-1,2-diamine?
The IUPAC name of (Z)-1-(3-chloro-2-methylphenyl)ethene-1,2-diamine (CID 144603923) is (Z)-1-(3-chloro-2-methylphenyl)ethene-1,2-diamine.
What is the SMILES notation for (Z)-1-(3-chloro-2-methylphenyl)ethene-1,2-diamine?
The canonical SMILES for (Z)-1-(3-chloro-2-methylphenyl)ethene-1,2-diamine is Cc1c(Cl)cccc1/C(N)=C/N.
What is the InChIKey of (Z)-1-(3-chloro-2-methylphenyl)ethene-1,2-diamine?
The InChIKey is BFZHYOPDTCZUDE-UITAMQMPSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-6-7(9(12)5-11)3-2-4-8(6)10/h2-5H,11-12H2,1H3/b9-5-.
What are the key properties of (Z)-1-(3-chloro-2-methylphenyl)ethene-1,2-diamine?
(Z)-1-(3-chloro-2-methylphenyl)ethene-1,2-diamine has a molecular weight of 182.65 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-chloro-2-methylphenyl)ethene-1,2-diamine is sourced from PubChem (CID 144603923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).