5-chloro-3-methoxy-2-methylaniline

C8H10ClNO — CID 97179579

IUPAC5-chloro-3-methoxy-2-methylaniline
SMILESCOc1cc(Cl)cc(N)c1C
InChIInChI=1S/C8H10ClNO/c1-5-7(10)3-6(9)4-8(5)11-2/h3-4H,10H2,1-2H3
InChIKeyHCOBIBJONVAGHH-UHFFFAOYSA-N
MW171.63 g/mol
LogP2.24
Rot. Bonds1

About 5-chloro-3-methoxy-2-methylaniline

5-chloro-3-methoxy-2-methylaniline (PubChem CID 97179579) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 5-chloro-3-methoxy-2-methylaniline.

Molecular Properties

Compound Name5-chloro-3-methoxy-2-methylaniline
PubChem CID97179579
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name5-chloro-3-methoxy-2-methylaniline
SMILESCOc1cc(Cl)cc(N)c1C
InChIInChI=1S/C8H10ClNO/c1-5-7(10)3-6(9)4-8(5)11-2/h3-4H,10H2,1-2H3
InChIKeyHCOBIBJONVAGHH-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 52.24
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

1,5-dichloro-3-methoxy-2-methylbenzene
CID 23462582
5-bromo-3-methoxy-2-methylaniline
CID 27274725
3,5-dimethoxy-2-methylaniline;hydrochloride
CID 91663006
2-(5-chloro-3-methoxy-2-methylphenyl)propan-2-amine
CID 117304795
5-methoxy-1-N,1-N,4-trimethylbenzene-1,3-diamine
CID 69381099
5-chloro-1-ethyl-3-methoxy-2-methylbenzene
CID 157390300
5-chloro-2-(4-fluorophenyl)-3-methoxyaniline
CID 90459925
3-amino-2-chloro-5-methoxy-4-methylbenzoic acid
CID 84681342
5-chloro-3-fluoro-2-methylaniline
CID 18727792
5-chloro-2-methoxyaniline;hydron;chloride
CID 164511506
methyl 3-amino-5-methoxy-4-methylbenzoate
CID 14760985
3,5-dichloro-2-methoxyaniline
CID 11217747

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methoxy-2-methylaniline?
The IUPAC name of 5-chloro-3-methoxy-2-methylaniline (CID 97179579) is 5-chloro-3-methoxy-2-methylaniline.
What is the SMILES notation for 5-chloro-3-methoxy-2-methylaniline?
The canonical SMILES for 5-chloro-3-methoxy-2-methylaniline is COc1cc(Cl)cc(N)c1C.
What is the InChIKey of 5-chloro-3-methoxy-2-methylaniline?
The InChIKey is HCOBIBJONVAGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-5-7(10)3-6(9)4-8(5)11-2/h3-4H,10H2,1-2H3.
What are the key properties of 5-chloro-3-methoxy-2-methylaniline?
5-chloro-3-methoxy-2-methylaniline has a molecular weight of 171.63 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methoxy-2-methylaniline is sourced from PubChem (CID 97179579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).