3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine

C14H16ClN3 — CID 113297464

IUPAC3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine
SMILESCN(C)c1cccc(Nc2c(N)cccc2Cl)c1
InChIInChI=1S/C14H16ClN3/c1-18(2)11-6-3-5-10(9-11)17-14-12(15)7-4-8-13(14)16/h3-9,17H,16H2,1-2H3
InChIKeyMYPAUDVGWCCZDF-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.73
Rot. Bonds3

About 3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine

3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine (PubChem CID 113297464) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine
PubChem CID113297464
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine
SMILESCN(C)c1cccc(Nc2c(N)cccc2Cl)c1
InChIInChI=1S/C14H16ClN3/c1-18(2)11-6-3-5-10(9-11)17-14-12(15)7-4-8-13(14)16/h3-9,17H,16H2,1-2H3
InChIKeyMYPAUDVGWCCZDF-UHFFFAOYSA-N
XLogP3.73
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine
CID 29067112
4-chloro-1-N-[3-(dimethylamino)phenyl]-5-fluorobenzene-1,2-diamine
CID 115376157
3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine
CID 115376107
2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 115376029
3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine
CID 43148696
4-N-[3-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669910
4-N-[3-(dimethylamino)phenyl]quinoline-3,4-diamine
CID 103963515
3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine
CID 54964711
3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 29066564
4-N-[3-(dimethylamino)phenyl]-2-methoxybenzene-1,4-diamine
CID 66739762
1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 79033222
2-N-[3-(dimethylamino)phenyl]-6-methoxypyridine-2,3-diamine
CID 115376043

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine (CID 113297464) is 3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine is CN(C)c1cccc(Nc2c(N)cccc2Cl)c1.
What is the InChIKey of 3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine?
The InChIKey is MYPAUDVGWCCZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-18(2)11-6-3-5-10(9-11)17-14-12(15)7-4-8-13(14)16/h3-9,17H,16H2,1-2H3.
What are the key properties of 3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine?
3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine has a molecular weight of 261.76 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine is sourced from PubChem (CID 113297464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).