1-(3-chlorophenyl)-1-(3,5-difluorophenyl)ethanamine

C14H12ClF2N — CID 62789192

IUPAC1-(3-chlorophenyl)-1-(3,5-difluorophenyl)ethanamine
SMILESCC(N)(c1cc(F)cc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClF2N/c1-14(18,9-3-2-4-11(15)5-9)10-6-12(16)8-13(17)7-10/h2-8H,18H2,1H3
InChIKeyQMTAKISRERWEOE-UHFFFAOYSA-N
MW267.71 g/mol
LogP3.84
Rot. Bonds2

About 1-(3-chlorophenyl)-1-(3,5-difluorophenyl)ethanamine

1-(3-chlorophenyl)-1-(3,5-difluorophenyl)ethanamine (PubChem CID 62789192) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(3,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(3,5-difluorophenyl)ethanamine
PubChem CID62789192
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name1-(3-chlorophenyl)-1-(3,5-difluorophenyl)ethanamine
SMILESCC(N)(c1cc(F)cc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClF2N/c1-14(18,9-3-2-4-11(15)5-9)10-6-12(16)8-13(17)7-10/h2-8H,18H2,1H3
InChIKeyQMTAKISRERWEOE-UHFFFAOYSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine
CID 63408144
1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 55120933
1-(3,5-difluorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 62787473
[1-amino-1-(3-chlorophenyl)ethyl] thiohypofluorite
CID 150613645
1-(3-chlorophenyl)-1-pyrimidin-5-ylethanamine
CID 62490873
1-(3-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 82819938
1-chloro-3-(1,1-dibromoethyl)benzene
CID 15877621
1-(3-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 54919053
2-(3-chlorophenyl)-2,2-difluoroacetic acid;2-(3,5-difluorophenyl)-2,2-difluoroacetic acid
CID 118541740
(1S)-1-(3-chlorophenyl)-1-fluoroethanol
CID 175477647
1-chloro-3-(2,3-dimethylbutan-2-yl)benzene
CID 118359606
1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 62802085

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(3,5-difluorophenyl)ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-1-(3,5-difluorophenyl)ethanamine (CID 62789192) is 1-(3-chlorophenyl)-1-(3,5-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(3,5-difluorophenyl)ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-1-(3,5-difluorophenyl)ethanamine is CC(N)(c1cc(F)cc(F)c1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-1-(3,5-difluorophenyl)ethanamine?
The InChIKey is QMTAKISRERWEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c1-14(18,9-3-2-4-11(15)5-9)10-6-12(16)8-13(17)7-10/h2-8H,18H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-1-(3,5-difluorophenyl)ethanamine?
1-(3-chlorophenyl)-1-(3,5-difluorophenyl)ethanamine has a molecular weight of 267.71 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-(3,5-difluorophenyl)ethanamine is sourced from PubChem (CID 62789192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).