N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine

C15H13ClF3N — CID 64714724

IUPACN-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1F)c1c(F)cccc1F
InChIInChI=1S/C15H13ClF3N/c1-2-20-15(9-5-3-6-10(16)14(9)19)13-11(17)7-4-8-12(13)18/h3-8,15,20H,2H2,1H3
InChIKeyYHGLPULTCVWHEM-UHFFFAOYSA-N
MW299.72 g/mol
LogP4.46
Rot. Bonds4

About N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine

N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine (PubChem CID 64714724) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
PubChem CID64714724
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC NameN-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1F)c1c(F)cccc1F
InChIInChI=1S/C15H13ClF3N/c1-2-20-15(9-5-3-6-10(16)14(9)19)13-11(17)7-4-8-12(13)18/h3-8,15,20H,2H2,1H3
InChIKeyYHGLPULTCVWHEM-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-3-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859759
N-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 64712464
N-[(3-chloro-2-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
CID 106878168
N-[(2,6-dichlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115855132
N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63501905
N-[(4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 105399020
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106646204
(1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 126988283
N-[(4-bromo-5-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 105399065
N-[(4-chloro-2,5-dimethylphenyl)-(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 81267229
N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859932
N-[(3-chloro-2-fluorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 81265394

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine (CID 64714724) is N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine is CCNC(c1cccc(Cl)c1F)c1c(F)cccc1F.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine?
The InChIKey is YHGLPULTCVWHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c1-2-20-15(9-5-3-6-10(16)14(9)19)13-11(17)7-4-8-12(13)18/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine?
N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine has a molecular weight of 299.72 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 64714724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).