(5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine

C16H18BrNO2 — CID 65307979

IUPAC(5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(Br)ccc2C)cc1OC
InChIInChI=1S/C16H18BrNO2/c1-10-4-6-12(17)9-13(10)16(18)11-5-7-14(19-2)15(8-11)20-3/h4-9,16H,18H2,1-3H3
InChIKeyMHZLFFPIMSUVDB-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.82
Rot. Bonds4

About (5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine

(5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine (PubChem CID 65307979) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine
PubChem CID65307979
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name(5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(Br)ccc2C)cc1OC
InChIInChI=1S/C16H18BrNO2/c1-10-4-6-12(17)9-13(10)16(18)11-5-7-14(19-2)15(8-11)20-3/h4-9,16H,18H2,1-3H3
InChIKeyMHZLFFPIMSUVDB-UHFFFAOYSA-N
XLogP3.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 105301110
(4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 105006873
(4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130164
4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline
CID 116936765
(2-bromophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 24688594
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine
CID 65440107
(5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine
CID 115851118
(2,5-dibromophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283090
1-(5-bromo-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826789
4-bromo-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 63427655
(5-bromo-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanamine
CID 43149051
(4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 115851839

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine?
The IUPAC name of (5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine (CID 65307979) is (5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine?
The canonical SMILES for (5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine is COc1ccc(C(N)c2cc(Br)ccc2C)cc1OC.
What is the InChIKey of (5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine?
The InChIKey is MHZLFFPIMSUVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-10-4-6-12(17)9-13(10)16(18)11-5-7-14(19-2)15(8-11)20-3/h4-9,16H,18H2,1-3H3.
What are the key properties of (5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine?
(5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine has a molecular weight of 336.23 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 65307979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).