1-(2-chloro-4-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-amine

C15H13ClF3N — CID 62603337

IUPAC1-(2-chloro-4-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-amine
SMILESNC(Cc1cc(F)cc(F)c1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H13ClF3N/c16-15-8-11(17)2-1-10(15)6-14(20)5-9-3-12(18)7-13(19)4-9/h1-4,7-8,14H,5-6,20H2
InChIKeyBAQPSZJSKQRXLR-UHFFFAOYSA-N
MW299.72 g/mol
LogP3.87
Rot. Bonds4

About 1-(2-chloro-4-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-amine

1-(2-chloro-4-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-amine (PubChem CID 62603337) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-amine
PubChem CID62603337
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-amine
SMILESNC(Cc1cc(F)cc(F)c1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H13ClF3N/c16-15-8-11(17)2-1-10(15)6-14(20)5-9-3-12(18)7-13(19)4-9/h1-4,7-8,14H,5-6,20H2
InChIKeyBAQPSZJSKQRXLR-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 63420117
1-(5-bromo-3-pyridinyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 104801933
1-(2-bromophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 55118420
1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 63890430
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347640
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-(2-chloro-4-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 105133510
1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine
CID 106868091
1-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)propan-2-amine
CID 114347641
1-(3-bromo-5-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanamine
CID 66425660
[1-(2,4-dichlorophenyl)-3-(3,5-difluorophenyl)propan-2-yl]hydrazine
CID 105206757

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-amine (CID 62603337) is 1-(2-chloro-4-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-amine is NC(Cc1cc(F)cc(F)c1)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-amine?
The InChIKey is BAQPSZJSKQRXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c16-15-8-11(17)2-1-10(15)6-14(20)5-9-3-12(18)7-13(19)4-9/h1-4,7-8,14H,5-6,20H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-amine?
1-(2-chloro-4-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-amine has a molecular weight of 299.72 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-amine is sourced from PubChem (CID 62603337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).