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

C16H17BrFNO — CID 43311329

IUPAC(5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine
SMILESCCOc1ccc(Br)cc1C(N)c1ccc(C)c(F)c1
InChIInChI=1S/C16H17BrFNO/c1-3-20-15-7-6-12(17)9-13(15)16(19)11-5-4-10(2)14(18)8-11/h4-9,16H,3,19H2,1-2H3
InChIKeyZDUIAHUADLNTDM-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.34
Rot. Bonds4

About (5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine

(5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine (PubChem CID 43311329) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is (5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine
PubChem CID43311329
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name(5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine
SMILESCCOc1ccc(Br)cc1C(N)c1ccc(C)c(F)c1
InChIInChI=1S/C16H17BrFNO/c1-3-20-15-7-6-12(17)9-13(15)16(19)11-5-4-10(2)14(18)8-11/h4-9,16H,3,19H2,1-2H3
InChIKeyZDUIAHUADLNTDM-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 (5-bromo-2-ethoxyphenyl)-(3-fluoro-4-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

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine?
The IUPAC name of (5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine (CID 43311329) is (5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine.
What is the SMILES notation for (5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine?
The canonical SMILES for (5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine is CCOc1ccc(Br)cc1C(N)c1ccc(C)c(F)c1.
What is the InChIKey of (5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine?
The InChIKey is ZDUIAHUADLNTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-3-20-15-7-6-12(17)9-13(15)16(19)11-5-4-10(2)14(18)8-11/h4-9,16H,3,19H2,1-2H3.
What are the key properties of (5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine?
(5-bromo-2-ethoxyphenyl)-(3-fluoro-4-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 (5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 43311329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).