N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine

C17H20FNO — CID 43191768

IUPACN-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C17H20FNO/c1-13(15-4-3-5-17(12-15)20-2)19-11-10-14-6-8-16(18)9-7-14/h3-9,12-13,19H,10-11H2,1-2H3
InChIKeyNKFFZPOZRZINLE-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.73
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine

N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 43191768) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID43191768
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C17H20FNO/c1-13(15-4-3-5-17(12-15)20-2)19-11-10-14-6-8-16(18)9-7-14/h3-9,12-13,19H,10-11H2,1-2H3
InChIKeyNKFFZPOZRZINLE-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)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

1-[3-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 112815867
N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 18357750
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893847
(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001791
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 105371258
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376127
N-(2-phenylethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694648
1-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 43193663
(1S)-N-[(2,4-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81375876
N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43110628
(1R)-N-[(3-bromo-4-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376213

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine (CID 43191768) is N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(C)NCCc2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is NKFFZPOZRZINLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13(15-4-3-5-17(12-15)20-2)19-11-10-14-6-8-16(18)9-7-14/h3-9,12-13,19H,10-11H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 43191768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).