(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine

C15H15BrFNO2 — CID 62867793

IUPAC(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2ccccc2Br)cc1OC
InChIInChI=1S/C15H15BrFNO2/c1-19-13-7-10(12(17)8-14(13)20-2)15(18)9-5-3-4-6-11(9)16/h3-8,15H,18H2,1-2H3
InChIKeyYFDLLPCWVPJTSW-UHFFFAOYSA-N
MW340.19 g/mol
LogP3.65
Rot. Bonds4

About (2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine

(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine (PubChem CID 62867793) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is (2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
PubChem CID62867793
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(F)c(C(N)c2ccccc2Br)cc1OC
InChIInChI=1S/C15H15BrFNO2/c1-19-13-7-10(12(17)8-14(13)20-2)15(18)9-5-3-4-6-11(9)16/h3-8,15H,18H2,1-2H3
InChIKeyYFDLLPCWVPJTSW-UHFFFAOYSA-N
XLogP3.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)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

(2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 114369086
(4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine
CID 105056652
(2-bromophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 24688594
(3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 81265393
(2,4-difluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867795
(4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine
CID 105056511
(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 106645247
(4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62865509
(2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine
CID 43118265
(2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048771
(4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 105056543
(4-bromo-5-chloro-2-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 105398505

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The IUPAC name of (2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine (CID 62867793) is (2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for (2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The canonical SMILES for (2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine is COc1cc(F)c(C(N)c2ccccc2Br)cc1OC.
What is the InChIKey of (2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
The InChIKey is YFDLLPCWVPJTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c1-19-13-7-10(12(17)8-14(13)20-2)15(18)9-5-3-4-6-11(9)16/h3-8,15H,18H2,1-2H3.
What are the key properties of (2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine?
(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine has a molecular weight of 340.19 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 62867793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).