N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine

C16H16ClF2NO — CID 115695829

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(F)cc1C(C)NCc1cccc(Cl)c1F
InChIInChI=1S/C16H16ClF2NO/c1-10(13-8-12(18)6-7-15(13)21-2)20-9-11-4-3-5-14(17)16(11)19/h3-8,10,20H,9H2,1-2H3
InChIKeyVCNJMKDCVTXGHV-UHFFFAOYSA-N
MW311.76 g/mol
LogP4.48
Rot. Bonds5

About N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine

N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine (PubChem CID 115695829) has the molecular formula C16H16ClF2NO and a molecular weight of 311.76 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
PubChem CID115695829
Molecular FormulaC16H16ClF2NO
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(F)cc1C(C)NCc1cccc(Cl)c1F
InChIInChI=1S/C16H16ClF2NO/c1-10(13-8-12(18)6-7-15(13)21-2)20-9-11-4-3-5-14(17)16(11)19/h3-8,10,20H,9H2,1-2H3
InChIKeyVCNJMKDCVTXGHV-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-fluoro-2-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

(1S)-1-(2-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791978
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 102615853
1-(5-fluoro-2-methoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943695
N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43728649
N-[(3,5-dichlorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 60789929
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81396656
N-[(3-chloro-4-methylphenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 106816460
(1R)-1-(2-bromophenyl)-N-[(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 104930257
(1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 81377742
N-[(3,5-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103776734
N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 81267028
N-[(3-chloro-2-fluorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 115664143

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine (CID 115695829) is N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine is COc1ccc(F)cc1C(C)NCc1cccc(Cl)c1F.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine?
The InChIKey is VCNJMKDCVTXGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO/c1-10(13-8-12(18)6-7-15(13)21-2)20-9-11-4-3-5-14(17)16(11)19/h3-8,10,20H,9H2,1-2H3.
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine?
N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine has a molecular weight of 311.76 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 115695829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).