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

C15H14ClF2N — CID 115761361

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESCC(NCc1cc(Cl)ccc1F)c1cccc(F)c1
InChIInChI=1S/C15H14ClF2N/c1-10(11-3-2-4-14(17)8-11)19-9-12-7-13(16)5-6-15(12)18/h2-8,10,19H,9H2,1H3
InChIKeyCTNQBQQHKSWFQB-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.47
Rot. Bonds4

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

N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 115761361) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
PubChem CID115761361
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESCC(NCc1cc(Cl)ccc1F)c1cccc(F)c1
InChIInChI=1S/C15H14ClF2N/c1-10(11-3-2-4-14(17)8-11)19-9-12-7-13(16)5-6-15(12)18/h2-8,10,19H,9H2,1H3
InChIKeyCTNQBQQHKSWFQB-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 103991886
(1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81368416
(1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 28649455
N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43080559
(1S)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104979988
N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 114841425
4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide
CID 81352971
(1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 81381728
1-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43181407
4-chloro-2-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methoxyphenol
CID 104663938
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81372333
N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115598223

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine (CID 115761361) is N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine is CC(NCc1cc(Cl)ccc1F)c1cccc(F)c1.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is CTNQBQQHKSWFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-10(11-3-2-4-14(17)8-11)19-9-12-7-13(16)5-6-15(12)18/h2-8,10,19H,9H2,1H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine?
N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine has a molecular weight of 281.73 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 115761361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).