3-chloro-4-methoxybenzene-1,2-diamine

C7H9ClN2O — CID 122129593

IUPAC3-chloro-4-methoxybenzene-1,2-diamine
SMILESCOc1ccc(N)c(N)c1Cl
InChIInChI=1S/C7H9ClN2O/c1-11-5-3-2-4(9)7(10)6(5)8/h2-3H,9-10H2,1H3
InChIKeyIYLBYXMDAQRPLF-UHFFFAOYSA-N
MW172.62 g/mol
LogP1.51
Rot. Bonds1

About 3-chloro-4-methoxybenzene-1,2-diamine

3-chloro-4-methoxybenzene-1,2-diamine (PubChem CID 122129593) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is 3-chloro-4-methoxybenzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-4-methoxybenzene-1,2-diamine
PubChem CID122129593
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name3-chloro-4-methoxybenzene-1,2-diamine
SMILESCOc1ccc(N)c(N)c1Cl
InChIInChI=1S/C7H9ClN2O/c1-11-5-3-2-4(9)7(10)6(5)8/h2-3H,9-10H2,1H3
InChIKeyIYLBYXMDAQRPLF-UHFFFAOYSA-N
XLogP1.51
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 51.51
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-amino-2-chloro-6-methoxyphenol
CID 45120120
1-(6-amino-2-chloro-3-methoxyphenyl)ethanone
CID 171022433
1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane
CID 143401300
2-chloro-6-methoxy-3-methylaniline
CID 84766117
4-methoxy-3-phenylbenzene-1,2-diamine
CID 174361445
2,3,4-trimethoxyaniline
CID 15455622
4-methoxy-2,3-dimethylaniline
CID 11094809
5-chloro-2-methoxyaniline;hydron;chloride
CID 164511506
3-(2,3-dichloro-4-methoxyphenyl)-2,2-dimethyloxirane
CID 116864108
methanol;3-methoxybenzene-1,2-diamine
CID 174908169
3-(3-chloro-2,4-dimethoxyphenyl)-2-methylaniline
CID 107627279
4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 55233537

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxybenzene-1,2-diamine?
The IUPAC name of 3-chloro-4-methoxybenzene-1,2-diamine (CID 122129593) is 3-chloro-4-methoxybenzene-1,2-diamine.
What is the SMILES notation for 3-chloro-4-methoxybenzene-1,2-diamine?
The canonical SMILES for 3-chloro-4-methoxybenzene-1,2-diamine is COc1ccc(N)c(N)c1Cl.
What is the InChIKey of 3-chloro-4-methoxybenzene-1,2-diamine?
The InChIKey is IYLBYXMDAQRPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-11-5-3-2-4(9)7(10)6(5)8/h2-3H,9-10H2,1H3.
What are the key properties of 3-chloro-4-methoxybenzene-1,2-diamine?
3-chloro-4-methoxybenzene-1,2-diamine has a molecular weight of 172.62 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxybenzene-1,2-diamine is sourced from PubChem (CID 122129593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).