2-[4-(2,6-dichlorophenyl)-3-fluorophenyl]ethanamine

C14H12Cl2FN — CID 118841835

IUPAC2-[4-(2,6-dichlorophenyl)-3-fluorophenyl]ethanamine
SMILESNCCc1ccc(-c2c(Cl)cccc2Cl)c(F)c1
InChIInChI=1S/C14H12Cl2FN/c15-11-2-1-3-12(16)14(11)10-5-4-9(6-7-18)8-13(10)17/h1-5,8H,6-7,18H2
InChIKeyFCDMFAKPBWKIBH-UHFFFAOYSA-N
MW284.16 g/mol
LogP4.30
Rot. Bonds3

About 2-[4-(2,6-dichlorophenyl)-3-fluorophenyl]ethanamine

2-[4-(2,6-dichlorophenyl)-3-fluorophenyl]ethanamine (PubChem CID 118841835) has the molecular formula C14H12Cl2FN and a molecular weight of 284.16 g/mol. Its IUPAC name is 2-[4-(2,6-dichlorophenyl)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,6-dichlorophenyl)-3-fluorophenyl]ethanamine
PubChem CID118841835
Molecular FormulaC14H12Cl2FN
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name2-[4-(2,6-dichlorophenyl)-3-fluorophenyl]ethanamine
SMILESNCCc1ccc(-c2c(Cl)cccc2Cl)c(F)c1
InChIInChI=1S/C14H12Cl2FN/c15-11-2-1-3-12(16)14(11)10-5-4-9(6-7-18)8-13(10)17/h1-5,8H,6-7,18H2
InChIKeyFCDMFAKPBWKIBH-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(2,3-difluorophenyl)-3-fluorophenyl]ethanamine
CID 118803927
[4-(6-chloro-2,3-difluorophenyl)-3-fluorophenyl]methanamine
CID 114275253
2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine
CID 115046585
2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692529
1-chloro-2-(2-fluoro-4-methylphenyl)-3-methylbenzene
CID 66251614
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
1-chloro-2-(2,4-difluorophenyl)-3-methylbenzene;ethane
CID 156797432
4-(2,6-dichlorophenyl)-3-fluorobenzoic acid
CID 119008734
1-(2,6-dichlorophenyl)-2,3,5-trifluorobenzene
CID 119023512
3-fluoro-4-(2,4,6-trichlorophenyl)aniline
CID 105349877
2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine
CID 82107251
2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine
CID 55238186

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dichlorophenyl)-3-fluorophenyl]ethanamine?
The IUPAC name of 2-[4-(2,6-dichlorophenyl)-3-fluorophenyl]ethanamine (CID 118841835) is 2-[4-(2,6-dichlorophenyl)-3-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-(2,6-dichlorophenyl)-3-fluorophenyl]ethanamine?
The canonical SMILES for 2-[4-(2,6-dichlorophenyl)-3-fluorophenyl]ethanamine is NCCc1ccc(-c2c(Cl)cccc2Cl)c(F)c1.
What is the InChIKey of 2-[4-(2,6-dichlorophenyl)-3-fluorophenyl]ethanamine?
The InChIKey is FCDMFAKPBWKIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN/c15-11-2-1-3-12(16)14(11)10-5-4-9(6-7-18)8-13(10)17/h1-5,8H,6-7,18H2.
What are the key properties of 2-[4-(2,6-dichlorophenyl)-3-fluorophenyl]ethanamine?
2-[4-(2,6-dichlorophenyl)-3-fluorophenyl]ethanamine has a molecular weight of 284.16 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dichlorophenyl)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 118841835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).