2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine

C14H12ClF2N — CID 82107251

IUPAC2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine
SMILESNCCc1ccc(Cl)c(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H12ClF2N/c15-12-3-1-9(5-6-18)7-11(12)10-2-4-13(16)14(17)8-10/h1-4,7-8H,5-6,18H2
InChIKeyNYVYMUHKMRQLCK-UHFFFAOYSA-N
MW267.71 g/mol
LogP3.79
Rot. Bonds3

About 2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine

2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine (PubChem CID 82107251) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine
PubChem CID82107251
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine
SMILESNCCc1ccc(Cl)c(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H12ClF2N/c15-12-3-1-9(5-6-18)7-11(12)10-2-4-13(16)14(17)8-10/h1-4,7-8H,5-6,18H2
InChIKeyNYVYMUHKMRQLCK-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-aminoethyl)-2-(3,4-difluorophenyl)phenol
CID 82296847
2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine
CID 115045738
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine
CID 115046585
2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine
CID 68867415
[4-chloro-3-(4-fluorophenyl)phenyl]methanamine
CID 39231998
2-[5-(2-aminoethyl)-2-chlorophenyl]phenol
CID 115046200
[4-(3,4-difluorophenyl)phenyl]methanamine
CID 61033518
2-(3-bromo-4-chlorophenyl)ethanamine
CID 68561444
[5-(2-chlorophenyl)-2-fluorophenyl]methanamine
CID 61029562
4-(bromomethyl)-2-(3,4-dichlorophenyl)-1-fluorobenzene
CID 134629445
2-[4-(2,6-dichlorophenyl)-3-fluorophenyl]ethanamine
CID 118841835

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine?
The IUPAC name of 2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine (CID 82107251) is 2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine is NCCc1ccc(Cl)c(-c2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine?
The InChIKey is NYVYMUHKMRQLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c15-12-3-1-9(5-6-18)7-11(12)10-2-4-13(16)14(17)8-10/h1-4,7-8H,5-6,18H2.
What are the key properties of 2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine?
2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine has a molecular weight of 267.71 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine is sourced from PubChem (CID 82107251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).