4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline

C14H15BrN2O — CID 116936765

IUPAC4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(Br)cc1C(N)c1ccc(N)cc1
InChIInChI=1S/C14H15BrN2O/c1-18-13-7-4-10(15)8-12(13)14(17)9-2-5-11(16)6-3-9/h2-8,14H,16-17H2,1H3
InChIKeyGPZUTGBKRBDMIM-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.09
Rot. Bonds3

About 4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline

4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline (PubChem CID 116936765) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline
PubChem CID116936765
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(Br)cc1C(N)c1ccc(N)cc1
InChIInChI=1S/C14H15BrN2O/c1-18-13-7-4-10(15)8-12(13)14(17)9-2-5-11(16)6-3-9/h2-8,14H,16-17H2,1H3
InChIKeyGPZUTGBKRBDMIM-UHFFFAOYSA-N
XLogP3.09
TPSA61.27 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 ≤ 53.09
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

4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 116936753
(5-bromo-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanamine
CID 43149051
(S)-(5-bromo-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171240173
(5-bromo-2-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 43148998
bromo-(5-bromo-2-methoxyphenyl)methanamine
CID 116947587
(5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine
CID 65307979
(5-bromo-2-methoxyphenyl)-methoxymethanamine
CID 116947257
4-bromo-2-[(5-bromo-2-methoxyphenyl)-(4-bromophenyl)methyl]-1-methoxybenzene
CID 50999142
(5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine
CID 107096345
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
(5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43149035
(1S)-1-(5-bromo-2-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171201580

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline?
The IUPAC name of 4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline (CID 116936765) is 4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline?
The canonical SMILES for 4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline is COc1ccc(Br)cc1C(N)c1ccc(N)cc1.
What is the InChIKey of 4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline?
The InChIKey is GPZUTGBKRBDMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-18-13-7-4-10(15)8-12(13)14(17)9-2-5-11(16)6-3-9/h2-8,14H,16-17H2,1H3.
What are the key properties of 4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline?
4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline has a molecular weight of 307.19 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 116936765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).