1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine

C15H14ClF2N — CID 114931762

IUPAC1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
SMILESNC(Cc1ccc(Cl)cc1)Cc1c(F)cccc1F
InChIInChI=1S/C15H14ClF2N/c16-11-6-4-10(5-7-11)8-12(19)9-13-14(17)2-1-3-15(13)18/h1-7,12H,8-9,19H2
InChIKeyJEQSEPLBVOEMRQ-UHFFFAOYSA-N
MW281.73 g/mol
LogP3.73
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine

1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine (PubChem CID 114931762) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
PubChem CID114931762
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
SMILESNC(Cc1ccc(Cl)cc1)Cc1c(F)cccc1F
InChIInChI=1S/C15H14ClF2N/c16-11-6-4-10(5-7-11)8-12(19)9-13-14(17)2-1-3-15(13)18/h1-7,12H,8-9,19H2
InChIKeyJEQSEPLBVOEMRQ-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931754
1-(4-chlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 62601232
1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine
CID 114931874
1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932224
1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899971
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 107884616
1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115845161
1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine
CID 105032555
3-(4-chlorophenyl)-1,1-difluoropropan-2-amine
CID 84673763
1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115839093
1-(4-chlorophenyl)propan-2-amine
CID 3127

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine (CID 114931762) is 1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine is NC(Cc1ccc(Cl)cc1)Cc1c(F)cccc1F.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine?
The InChIKey is JEQSEPLBVOEMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c16-11-6-4-10(5-7-11)8-12(19)9-13-14(17)2-1-3-15(13)18/h1-7,12H,8-9,19H2.
What are the key properties of 1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine?
1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine has a molecular weight of 281.73 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine is sourced from PubChem (CID 114931762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).