N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine

C16H17BrFNO — CID 115828081

IUPACN-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1F)c1ccc(Br)cc1OC
InChIInChI=1S/C16H17BrFNO/c1-3-19-16(12-6-4-5-7-14(12)18)13-9-8-11(17)10-15(13)20-2/h4-10,16,19H,3H2,1-2H3
InChIKeyWEOQPYLYMVWXRX-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.30
Rot. Bonds5

About N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine

N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine (PubChem CID 115828081) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
PubChem CID115828081
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC NameN-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1F)c1ccc(Br)cc1OC
InChIInChI=1S/C16H17BrFNO/c1-3-19-16(12-6-4-5-7-14(12)18)13-9-8-11(17)10-15(13)20-2/h4-10,16,19H,3H2,1-2H3
InChIKeyWEOQPYLYMVWXRX-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine 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

N-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43487880
N-[(4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 115861975
N-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
CID 43487855
N-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115827865
N-[(3-bromo-4-fluorophenyl)-(4-bromo-2-methoxyphenyl)methyl]ethanamine
CID 115369013
N-[(2-fluoro-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 115793050
N-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 63081777
N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43561465
N-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine
CID 115368913
N-[(4-bromo-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105016507
N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493633
N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488692

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine (CID 115828081) is N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine is CCNC(c1ccccc1F)c1ccc(Br)cc1OC.
What is the InChIKey of N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine?
The InChIKey is WEOQPYLYMVWXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-3-19-16(12-6-4-5-7-14(12)18)13-9-8-11(17)10-15(13)20-2/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine?
N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine has a molecular weight of 338.22 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 115828081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).