(2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine

C14H12BrClFNO — CID 105396903

IUPAC(2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine
SMILESCOc1ccc(Br)c(C(N)c2cc(F)ccc2Cl)c1
InChIInChI=1S/C14H12BrClFNO/c1-19-9-3-4-12(15)10(7-9)14(18)11-6-8(17)2-5-13(11)16/h2-7,14H,18H2,1H3
InChIKeyJUBFDCNEVGQAOJ-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.30
Rot. Bonds3

About (2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine

(2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine (PubChem CID 105396903) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine
PubChem CID105396903
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name(2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine
SMILESCOc1ccc(Br)c(C(N)c2cc(F)ccc2Cl)c1
InChIInChI=1S/C14H12BrClFNO/c1-19-9-3-4-12(15)10(7-9)14(18)11-6-8(17)2-5-13(11)16/h2-7,14H,18H2,1H3
InChIKeyJUBFDCNEVGQAOJ-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)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-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197258
(2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 81045501
(2-bromo-5-methylphenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 81109542
(2-chloro-5-fluorophenyl)-(4-chloro-2-methoxyphenyl)methanamine
CID 105396862
1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene
CID 63433665
(2-chloro-5-fluorophenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791354
(2-bromo-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43118226
(2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032943
1-(2-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 61078317
(2-chloro-5-fluorophenyl)-(4-methoxythiophen-2-yl)methanamine
CID 105397471
N-[(2-bromo-5-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562053
1-bromo-2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene
CID 63443408

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine?
The IUPAC name of (2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine (CID 105396903) is (2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine is COc1ccc(Br)c(C(N)c2cc(F)ccc2Cl)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine?
The InChIKey is JUBFDCNEVGQAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c1-19-9-3-4-12(15)10(7-9)14(18)11-6-8(17)2-5-13(11)16/h2-7,14H,18H2,1H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine?
(2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine has a molecular weight of 344.61 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine is sourced from PubChem (CID 105396903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).