1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine

C14H15BrN2O — CID 62912318

IUPAC1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine
SMILESCOc1ccc(Br)cc1Nc1ccc(C)c(N)c1
InChIInChI=1S/C14H15BrN2O/c1-9-3-5-11(8-12(9)16)17-13-7-10(15)4-6-14(13)18-2/h3-8,17H,16H2,1-2H3
InChIKeyFGSGEOAIDNTQSW-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.09
Rot. Bonds3

About 1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine

1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine (PubChem CID 62912318) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine
PubChem CID62912318
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine
SMILESCOc1ccc(Br)cc1Nc1ccc(C)c(N)c1
InChIInChI=1S/C14H15BrN2O/c1-9-3-5-11(8-12(9)16)17-13-7-10(15)4-6-14(13)18-2/h3-8,17H,16H2,1-2H3
InChIKeyFGSGEOAIDNTQSW-UHFFFAOYSA-N
XLogP4.09
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.09
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

1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine
CID 62912994
2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide
CID 79466769
1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62911783
3-N-(5-bromo-2-methoxyphenyl)benzene-1,3-diamine
CID 54968360
4-(5-bromo-2-methoxyanilino)-2-methylbenzonitrile
CID 81281831
1-N-(4-bromo-2-fluorophenyl)-4-methylbenzene-1,3-diamine
CID 55131320
5-N-(5-bromo-2-methoxyphenyl)pyridine-3,5-diamine
CID 113423853
4-N-(2,4-dibromophenyl)-2-methoxybenzene-1,4-diamine
CID 63670354
2-N-(5-bromo-2-methoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 55068109
4-bromo-2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 65343511
N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine
CID 102824089
1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 55130746

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine?
The IUPAC name of 1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine (CID 62912318) is 1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine is COc1ccc(Br)cc1Nc1ccc(C)c(N)c1.
What is the InChIKey of 1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine?
The InChIKey is FGSGEOAIDNTQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-9-3-5-11(8-12(9)16)17-13-7-10(15)4-6-14(13)18-2/h3-8,17H,16H2,1-2H3.
What are the key properties of 1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine?
1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine has a molecular weight of 307.19 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine is sourced from PubChem (CID 62912318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).