N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine

C16H17BrFNO — CID 79747190

IUPACN-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(Br)c1)c1ccccc1OC
InChIInChI=1S/C16H17BrFNO/c1-3-19-16(11-8-9-14(18)13(17)10-11)12-6-4-5-7-15(12)20-2/h4-10,16,19H,3H2,1-2H3
InChIKeyBSOHIEBYNPXXBC-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.30
Rot. Bonds5

About N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine

N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine (PubChem CID 79747190) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
PubChem CID79747190
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC NameN-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(Br)c1)c1ccccc1OC
InChIInChI=1S/C16H17BrFNO/c1-3-19-16(11-8-9-14(18)13(17)10-11)12-6-4-5-7-15(12)20-2/h4-10,16,19H,3H2,1-2H3
InChIKeyBSOHIEBYNPXXBC-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-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)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-[(3-bromo-4-fluorophenyl)-(2-ethoxyphenyl)methyl]ethanamine
CID 79722958
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 79722130
N-[(3-bromo-4-fluorophenyl)-(4-bromo-2-methoxyphenyl)methyl]ethanamine
CID 115369013
N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488877
N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488692
N-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 105024887
N-[(2-bromophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491377
N-[(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine
CID 43487803
N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 43496515
N-[(3-bromo-4-fluorophenyl)-(4-bromo-2-fluorophenyl)methyl]ethanamine
CID 79746769
N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120
N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493633

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine (CID 79747190) is N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(F)c(Br)c1)c1ccccc1OC.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine?
The InChIKey is BSOHIEBYNPXXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-3-19-16(11-8-9-14(18)13(17)10-11)12-6-4-5-7-15(12)20-2/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine?
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)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-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 79747190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).