2-chloro-3-N-(3-methoxyphenyl)-5-methylbenzene-1,3-diamine

C14H15ClN2O — CID 154647617

IUPAC2-chloro-3-N-(3-methoxyphenyl)-5-methylbenzene-1,3-diamine
SMILESCOc1cccc(Nc2cc(C)cc(N)c2Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-9-6-12(16)14(15)13(7-9)17-10-4-3-5-11(8-10)18-2/h3-8,17H,16H2,1-2H3
InChIKeyFPUAEFBIXNTMNW-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.98
Rot. Bonds3

About 2-chloro-3-N-(3-methoxyphenyl)-5-methylbenzene-1,3-diamine

2-chloro-3-N-(3-methoxyphenyl)-5-methylbenzene-1,3-diamine (PubChem CID 154647617) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-chloro-3-N-(3-methoxyphenyl)-5-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name2-chloro-3-N-(3-methoxyphenyl)-5-methylbenzene-1,3-diamine
PubChem CID154647617
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-chloro-3-N-(3-methoxyphenyl)-5-methylbenzene-1,3-diamine
SMILESCOc1cccc(Nc2cc(C)cc(N)c2Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-9-6-12(16)14(15)13(7-9)17-10-4-3-5-11(8-10)18-2/h3-8,17H,16H2,1-2H3
InChIKeyFPUAEFBIXNTMNW-UHFFFAOYSA-N
XLogP3.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.98
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-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine
CID 63077298
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
3-N-(2-chloro-3-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 114251434
4-N-(3-methoxyphenyl)pyridine-3,4-diamine
CID 29067426
5-methoxy-3-N-(3-methoxyphenyl)benzene-1,3-diamine
CID 80722123
6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80762521
1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone
CID 82482529
2-N-(3-methoxyphenyl)naphthalene-1,2-diamine
CID 86689993
4-amino-3-(3-methoxyanilino)-N-methylbenzenesulfonamide
CID 82899659
6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 11694491
3-chloro-4-(3-methoxyanilino)benzonitrile
CID 55179677
6-methoxy-2-N-(3-methoxyphenyl)pyridine-2,5-diamine
CID 43261675

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-N-(3-methoxyphenyl)-5-methylbenzene-1,3-diamine?
The IUPAC name of 2-chloro-3-N-(3-methoxyphenyl)-5-methylbenzene-1,3-diamine (CID 154647617) is 2-chloro-3-N-(3-methoxyphenyl)-5-methylbenzene-1,3-diamine.
What is the SMILES notation for 2-chloro-3-N-(3-methoxyphenyl)-5-methylbenzene-1,3-diamine?
The canonical SMILES for 2-chloro-3-N-(3-methoxyphenyl)-5-methylbenzene-1,3-diamine is COc1cccc(Nc2cc(C)cc(N)c2Cl)c1.
What is the InChIKey of 2-chloro-3-N-(3-methoxyphenyl)-5-methylbenzene-1,3-diamine?
The InChIKey is FPUAEFBIXNTMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9-6-12(16)14(15)13(7-9)17-10-4-3-5-11(8-10)18-2/h3-8,17H,16H2,1-2H3.
What are the key properties of 2-chloro-3-N-(3-methoxyphenyl)-5-methylbenzene-1,3-diamine?
2-chloro-3-N-(3-methoxyphenyl)-5-methylbenzene-1,3-diamine has a molecular weight of 262.74 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-N-(3-methoxyphenyl)-5-methylbenzene-1,3-diamine is sourced from PubChem (CID 154647617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).