1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine

C14H12ClF2N — CID 82541962

IUPAC1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine
SMILESCC(N)c1ccc(Cl)c(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H12ClF2N/c1-8(18)9-2-3-14(15)13(6-9)10-4-11(16)7-12(17)5-10/h2-8H,18H2,1H3
InChIKeyXILXPTWIDJRHDM-UHFFFAOYSA-N
MW267.71 g/mol
LogP4.30
Rot. Bonds2

About 1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine

1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine (PubChem CID 82541962) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is 1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine
PubChem CID82541962
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine
SMILESCC(N)c1ccc(Cl)c(-c2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H12ClF2N/c1-8(18)9-2-3-14(15)13(6-9)10-4-11(16)7-12(17)5-10/h2-8H,18H2,1H3
InChIKeyXILXPTWIDJRHDM-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine
CID 82541614
1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine
CID 82541998
3-[5-(1-aminoethyl)-2-chlorophenyl]phenol
CID 115046198
1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]ethanamine
CID 82541770
4-[5-(1-aminoethyl)-2-chlorophenyl]benzoic acid
CID 82541823
1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
CID 82541566
3-[5-(1-aminoethyl)-2-chlorophenyl]-N,N-dimethylaniline
CID 82541933
1-[3-(3,5-difluorophenyl)phenyl]ethanamine
CID 54911738
1-[4-(3-fluoro-5-methylphenyl)phenyl]ethanamine
CID 79689806
1-[4-chloro-3-(1-methyl-2,3-dihydroindol-5-yl)phenyl]ethanamine
CID 82541625
1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine
CID 82541956
1-[4-chloro-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine
CID 82541808

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine?
The IUPAC name of 1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine (CID 82541962) is 1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine is CC(N)c1ccc(Cl)c(-c2cc(F)cc(F)c2)c1.
What is the InChIKey of 1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine?
The InChIKey is XILXPTWIDJRHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c1-8(18)9-2-3-14(15)13(6-9)10-4-11(16)7-12(17)5-10/h2-8H,18H2,1H3.
What are the key properties of 1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine?
1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine has a molecular weight of 267.71 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine is sourced from PubChem (CID 82541962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).