4-bromo-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine

C14H15BrN2O — CID 65343041

IUPAC4-bromo-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine
SMILESCOc1ccccc1CNc1cc(Br)ccc1N
InChIInChI=1S/C14H15BrN2O/c1-18-14-5-3-2-4-10(14)9-17-13-8-11(15)6-7-12(13)16/h2-8,17H,9,16H2,1H3
InChIKeySXYGUXZZMGDRSJ-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.65
Rot. Bonds4

About 4-bromo-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine

4-bromo-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine (PubChem CID 65343041) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-bromo-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine
PubChem CID65343041
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name4-bromo-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine
SMILESCOc1ccccc1CNc1cc(Br)ccc1N
InChIInChI=1S/C14H15BrN2O/c1-18-14-5-3-2-4-10(14)9-17-13-8-11(15)6-7-12(13)16/h2-8,17H,9,16H2,1H3
InChIKeySXYGUXZZMGDRSJ-UHFFFAOYSA-N
XLogP3.65
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.65
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

4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine
CID 65342577
4-bromo-2-[(2-methoxyphenyl)methylamino]benzonitrile
CID 24903115
methyl 4-amino-3-[(2-methoxyphenyl)methylamino]benzoate
CID 82775514
4-amino-3-[(2-methoxyphenyl)methylamino]benzamide
CID 63355954
5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 61060558
4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine
CID 115124144
2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine
CID 107258624
4-bromo-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 65343343
2,4,6-tribromo-N-[(2-methoxyphenyl)methyl]aniline
CID 28991915
2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline
CID 82761234
N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline
CID 43088137
4-ethoxy-5-fluoro-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine
CID 63592499

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine (CID 65343041) is 4-bromo-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine is COc1ccccc1CNc1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine?
The InChIKey is SXYGUXZZMGDRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-18-14-5-3-2-4-10(14)9-17-13-8-11(15)6-7-12(13)16/h2-8,17H,9,16H2,1H3.
What are the key properties of 4-bromo-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine?
4-bromo-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine has a molecular weight of 307.19 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 65343041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).