3-chloro-2-methoxyaniline;hydrochloride

C7H9Cl2NO — CID 17233805

IUPAC3-chloro-2-methoxyaniline;hydrochloride
SMILESCOc1c(N)cccc1Cl.Cl
InChIInChI=1S/C7H8ClNO.ClH/c1-10-7-5(8)3-2-4-6(7)9;/h2-4H,9H2,1H3;1H
InChIKeyODPNKCFPAODZNI-UHFFFAOYSA-N
MW194.06 g/mol
LogP2.35
Rot. Bonds1

About 3-chloro-2-methoxyaniline;hydrochloride

3-chloro-2-methoxyaniline;hydrochloride (PubChem CID 17233805) has the molecular formula C7H9Cl2NO and a molecular weight of 194.06 g/mol. Its IUPAC name is 3-chloro-2-methoxyaniline;hydrochloride.

Molecular Properties

Compound Name3-chloro-2-methoxyaniline;hydrochloride
PubChem CID17233805
Molecular FormulaC7H9Cl2NO
Molecular Weight194.06 g/mol
Exact Mass193.01
IUPAC Name3-chloro-2-methoxyaniline;hydrochloride
SMILESCOc1c(N)cccc1Cl.Cl
InChIInChI=1S/C7H8ClNO.ClH/c1-10-7-5(8)3-2-4-6(7)9;/h2-4H,9H2,1H3;1H
InChIKeyODPNKCFPAODZNI-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.06
LogP ≤ 52.35
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

3-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
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3-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline
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(3-chloro-2-methoxyphenyl)hydrazine;hydrochloride
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3-chloro-2-propoxyaniline
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3-chloro-2-(3,5-dimethylphenoxy)aniline
CID 26189205
2-(2-amino-6-chlorophenoxy)propanenitrile
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2-(2-aminoethoxy)-3-chloroaniline
CID 122439573
3-(2-amino-6-chlorophenoxy)-5-methoxybenzonitrile
CID 103566366
3-chloro-2-(2-fluoroethoxy)aniline
CID 107715740
3-amino-2-methoxybenzoic acid;hydrochloride
CID 163206997
1-chloro-2-methoxy-3-methylsulfanylbenzene
CID 91880715
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methoxyaniline;hydrochloride?
The IUPAC name of 3-chloro-2-methoxyaniline;hydrochloride (CID 17233805) is 3-chloro-2-methoxyaniline;hydrochloride.
What is the SMILES notation for 3-chloro-2-methoxyaniline;hydrochloride?
The canonical SMILES for 3-chloro-2-methoxyaniline;hydrochloride is COc1c(N)cccc1Cl.Cl.
What is the InChIKey of 3-chloro-2-methoxyaniline;hydrochloride?
The InChIKey is ODPNKCFPAODZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO.ClH/c1-10-7-5(8)3-2-4-6(7)9;/h2-4H,9H2,1H3;1H.
What are the key properties of 3-chloro-2-methoxyaniline;hydrochloride?
3-chloro-2-methoxyaniline;hydrochloride has a molecular weight of 194.06 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methoxyaniline;hydrochloride is sourced from PubChem (CID 17233805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).