1-(3-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine

C15H14ClF2N — CID 82819938

IUPAC1-(3-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
SMILESCc1ccc(F)c(C(C)(N)c2cccc(Cl)c2)c1F
InChIInChI=1S/C15H14ClF2N/c1-9-6-7-12(17)13(14(9)18)15(2,19)10-4-3-5-11(16)8-10/h3-8H,19H2,1-2H3
InChIKeySPXJZIXWRXPSCT-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.15
Rot. Bonds2

About 1-(3-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine

1-(3-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine (PubChem CID 82819938) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
PubChem CID82819938
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name1-(3-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
SMILESCc1ccc(F)c(C(C)(N)c2cccc(Cl)c2)c1F
InChIInChI=1S/C15H14ClF2N/c1-9-6-7-12(17)13(14(9)18)15(2,19)10-4-3-5-11(16)8-10/h3-8H,19H2,1-2H3
InChIKeySPXJZIXWRXPSCT-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-1-(3,5-difluorophenyl)ethanamine
CID 62789192
1-(2,6-difluoro-3-methylphenyl)-1-(2-fluorophenyl)ethanamine
CID 82819787
1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 55120933
1-(4-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 82820097
1-(4-tert-butylphenyl)-1-(3-chlorophenyl)ethanamine
CID 63408144
1-(3-bromo-2,6-difluorophenyl)-1-(3-bromophenyl)ethanamine
CID 106941571
1-(3-bromo-2,6-difluorophenyl)-1-(3-fluorophenyl)ethanamine
CID 106941565
1-(2-bromophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 82820253
1-(3-bromo-2,6-difluorophenyl)-1-(3-chlorophenyl)ethanol
CID 106941192
(1S)-1-(3-chlorophenyl)-1-fluoroethanol
CID 175477647
[1-amino-1-(3-chlorophenyl)ethyl] thiohypofluorite
CID 150613645
1-(3-chlorophenyl)-1-pyrimidin-5-ylethanamine
CID 62490873

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine (CID 82819938) is 1-(3-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine is Cc1ccc(F)c(C(C)(N)c2cccc(Cl)c2)c1F.
What is the InChIKey of 1-(3-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine?
The InChIKey is SPXJZIXWRXPSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-9-6-7-12(17)13(14(9)18)15(2,19)10-4-3-5-11(16)8-10/h3-8H,19H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine?
1-(3-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine has a molecular weight of 281.73 g/mol, XLogP of 4.15, 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-(2,6-difluoro-3-methylphenyl)ethanamine is sourced from PubChem (CID 82819938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).