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

C16H16ClF2NO — CID 105022572

IUPACN-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(OC)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C16H16ClF2NO/c1-3-20-16(12-6-5-11(17)9-14(12)19)10-4-7-13(18)15(8-10)21-2/h4-9,16,20H,3H2,1-2H3
InChIKeyHSDAHCHYWBOFKH-UHFFFAOYSA-N
MW311.76 g/mol
LogP4.33
Rot. Bonds5

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

N-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine (PubChem CID 105022572) has the molecular formula C16H16ClF2NO and a molecular weight of 311.76 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
PubChem CID105022572
Molecular FormulaC16H16ClF2NO
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC NameN-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(OC)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C16H16ClF2NO/c1-3-20-16(12-6-5-11(17)9-14(12)19)10-4-7-13(18)15(8-10)21-2/h4-9,16,20H,3H2,1-2H3
InChIKeyHSDAHCHYWBOFKH-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-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-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81288457
N-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493615
N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487968
N-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 63081777
N-[(4-bromo-3-fluorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022728
5-chloro-3-[ethylamino-(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine
CID 107922698
N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81288473
N-[(3-chloro-4-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 82873200
N-[(4-bromo-3-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022476
N-[(5-chlorothiophen-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81283886
[(4-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 105192213
N-[(2,4-difluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493625

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine (CID 105022572) is N-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(F)c(OC)c1)c1ccc(Cl)cc1F.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine?
The InChIKey is HSDAHCHYWBOFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO/c1-3-20-16(12-6-5-11(17)9-14(12)19)10-4-7-13(18)15(8-10)21-2/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine?
N-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine has a molecular weight of 311.76 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 105022572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).