(2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine

C16H17BrFNO — CID 81477237

IUPAC(2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
SMILESCCOc1ccc(C(N)c2cccc(C)c2F)c(Br)c1
InChIInChI=1S/C16H17BrFNO/c1-3-20-11-7-8-12(14(17)9-11)16(19)13-6-4-5-10(2)15(13)18/h4-9,16H,3,19H2,1-2H3
InChIKeyBFJWRMYTTZQJKL-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.34
Rot. Bonds4

About (2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine

(2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine (PubChem CID 81477237) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is (2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
PubChem CID81477237
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name(2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
SMILESCCOc1ccc(C(N)c2cccc(C)c2F)c(Br)c1
InChIInChI=1S/C16H17BrFNO/c1-3-20-11-7-8-12(14(17)9-11)16(19)13-6-4-5-10(2)15(13)18/h4-9,16H,3,19H2,1-2H3
InChIKeyBFJWRMYTTZQJKL-UHFFFAOYSA-N
XLogP4.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)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-1-[(2-bromo-4-ethoxyphenyl)-chloromethyl]-3-methylbenzene
CID 107983600
(2,4-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477695
(2,3-difluoro-4-methylphenyl)-(3-ethoxyphenyl)methanamine
CID 107513083
(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 106764463
2-[bromo-(2-bromo-4-ethoxyphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82799347
(4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477516
(3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine
CID 107998834
1-bromo-2-[bromo-(2-bromo-4-ethoxyphenyl)methyl]-3-fluorobenzene
CID 114560713
(2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine
CID 63987975
(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
(3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine
CID 107947115
(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477083

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine?
The IUPAC name of (2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine (CID 81477237) is (2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine?
The canonical SMILES for (2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine is CCOc1ccc(C(N)c2cccc(C)c2F)c(Br)c1.
What is the InChIKey of (2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine?
The InChIKey is BFJWRMYTTZQJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-3-20-11-7-8-12(14(17)9-11)16(19)13-6-4-5-10(2)15(13)18/h4-9,16H,3,19H2,1-2H3.
What are the key properties of (2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine?
(2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine has a molecular weight of 338.22 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 81477237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).