4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine

C8H11ClN2 — CID 3871128

IUPAC4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(Cl)cc1N
InChIInChI=1S/C8H11ClN2/c1-11(2)8-4-3-6(9)5-7(8)10/h3-5H,10H2,1-2H3
InChIKeyZMXJMNASZAAMSC-UHFFFAOYSA-N
MW170.64 g/mol
LogP1.99
Rot. Bonds1

About 4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine

4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine (PubChem CID 3871128) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine
PubChem CID3871128
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccc(Cl)cc1N
InChIInChI=1S/C8H11ClN2/c1-11(2)8-4-3-6(9)5-7(8)10/h3-5H,10H2,1-2H3
InChIKeyZMXJMNASZAAMSC-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-Chlorophenyl)piperazine
CID 1355
4-Chloro-1,2-diaminobenzene
CID 7263
1-(3-Chlorophenyl)piperazine monohydrochloride
CID 25681
4-Chloro-N-methylbenzenamine
CID 70272
1-(4-Chlorophenyl)piperazine
CID 97478
1-(3-Chlorophenyl)piperazine dihydrochloride
CID 11957487
1-(4-Chlorophenyl)-2-methylpiperazine
CID 98289
4-Chloro-N,N-dimethylaniline
CID 136530
1-(3,4-Dichlorophenyl)piperazine
CID 93601
N-(4-chlorophenyl)benzene-1,2-diamine
CID 522323
1-(3-Chlorophenyl)-4-hexylpiperazine
CID 610696
1-(3-Chloro-phenyl)-4-pentyl-piperazine
CID 14960350

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine (CID 3871128) is 4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine is CN(C)c1ccc(Cl)cc1N.
What is the InChIKey of 4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine?
The InChIKey is ZMXJMNASZAAMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-11(2)8-4-3-6(9)5-7(8)10/h3-5H,10H2,1-2H3.
What are the key properties of 4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine?
4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine has a molecular weight of 170.64 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N,1-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 3871128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).