1-[2-chloro-4-(2,6-difluoro-3-methylphenyl)phenyl]ethanamine

C15H14ClF2N — CID 82822411

IUPAC1-[2-chloro-4-(2,6-difluoro-3-methylphenyl)phenyl]ethanamine
SMILESCc1ccc(F)c(-c2ccc(C(C)N)c(Cl)c2)c1F
InChIInChI=1S/C15H14ClF2N/c1-8-3-6-13(17)14(15(8)18)10-4-5-11(9(2)19)12(16)7-10/h3-7,9H,19H2,1-2H3
InChIKeyGILIHHRBIOBLBF-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.61
Rot. Bonds2

About 1-[2-chloro-4-(2,6-difluoro-3-methylphenyl)phenyl]ethanamine

1-[2-chloro-4-(2,6-difluoro-3-methylphenyl)phenyl]ethanamine (PubChem CID 82822411) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 1-[2-chloro-4-(2,6-difluoro-3-methylphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(2,6-difluoro-3-methylphenyl)phenyl]ethanamine
PubChem CID82822411
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name1-[2-chloro-4-(2,6-difluoro-3-methylphenyl)phenyl]ethanamine
SMILESCc1ccc(F)c(-c2ccc(C(C)N)c(Cl)c2)c1F
InChIInChI=1S/C15H14ClF2N/c1-8-3-6-13(17)14(15(8)18)10-4-5-11(9(2)19)12(16)7-10/h3-7,9H,19H2,1-2H3
InChIKeyGILIHHRBIOBLBF-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-chloro-4-(2,3-difluoro-4-methylphenyl)phenyl]ethanamine
CID 107514162
1-[2-chloro-4-(2,3,4,5,6-pentamethylphenyl)phenyl]ethanamine
CID 82777645
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
1-[2-chloro-4-(2-fluorophenyl)phenyl]ethanamine
CID 82783615
1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133
1-[2-chloro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107169559
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
1-[2-chloro-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 102755598
(1S)-1-(2-chloro-4-methylphenyl)ethanamine
CID 96956130
1-[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 82783494
1-(4-chloro-2-methylphenyl)ethanamine;ethane
CID 143031606
1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine
CID 82783166

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(2,6-difluoro-3-methylphenyl)phenyl]ethanamine?
The IUPAC name of 1-[2-chloro-4-(2,6-difluoro-3-methylphenyl)phenyl]ethanamine (CID 82822411) is 1-[2-chloro-4-(2,6-difluoro-3-methylphenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-chloro-4-(2,6-difluoro-3-methylphenyl)phenyl]ethanamine?
The canonical SMILES for 1-[2-chloro-4-(2,6-difluoro-3-methylphenyl)phenyl]ethanamine is Cc1ccc(F)c(-c2ccc(C(C)N)c(Cl)c2)c1F.
What is the InChIKey of 1-[2-chloro-4-(2,6-difluoro-3-methylphenyl)phenyl]ethanamine?
The InChIKey is GILIHHRBIOBLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-8-3-6-13(17)14(15(8)18)10-4-5-11(9(2)19)12(16)7-10/h3-7,9H,19H2,1-2H3.
What are the key properties of 1-[2-chloro-4-(2,6-difluoro-3-methylphenyl)phenyl]ethanamine?
1-[2-chloro-4-(2,6-difluoro-3-methylphenyl)phenyl]ethanamine has a molecular weight of 281.73 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(2,6-difluoro-3-methylphenyl)phenyl]ethanamine is sourced from PubChem (CID 82822411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).