(4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine

C16H18BrNO3 — CID 105056617

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(OC)c(Br)cc2OC)cc1
InChIInChI=1S/C16H18BrNO3/c1-19-11-6-4-10(5-7-11)16(18)12-8-15(21-3)13(17)9-14(12)20-2/h4-9,16H,18H2,1-3H3
InChIKeyJUDDXABATVCMHY-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.52
Rot. Bonds5

About (4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine

(4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine (PubChem CID 105056617) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
PubChem CID105056617
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(OC)c(Br)cc2OC)cc1
InChIInChI=1S/C16H18BrNO3/c1-19-11-6-4-10(5-7-11)16(18)12-8-15(21-3)13(17)9-14(12)20-2/h4-9,16H,18H2,1-3H3
InChIKeyJUDDXABATVCMHY-UHFFFAOYSA-N
XLogP3.52
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-4-[bromo-(4-methoxyphenyl)methyl]-2,5-dimethoxybenzene
CID 105057422
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
(3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43131080
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 105056645
(4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine
CID 105056652
(4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine
CID 105056618
(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanamine
CID 105056613
(5-fluoro-2-methoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43122364
(R)-(2-bromo-4,5-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245830
(4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine
CID 43121496
(4-bromothiophen-3-yl)-(4-methoxyphenyl)methanamine
CID 79595197
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 103394484

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine (CID 105056617) is (4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine is COc1ccc(C(N)c2cc(OC)c(Br)cc2OC)cc1.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine?
The InChIKey is JUDDXABATVCMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c1-19-11-6-4-10(5-7-11)16(18)12-8-15(21-3)13(17)9-14(12)20-2/h4-9,16H,18H2,1-3H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine?
(4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine has a molecular weight of 352.23 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 105056617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).