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

C17H19ClFN — CID 115983731

IUPAC1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine
SMILESCc1cc(C)cc(CC(N)Cc2cccc(F)c2Cl)c1
InChIInChI=1S/C17H19ClFN/c1-11-6-12(2)8-13(7-11)9-15(20)10-14-4-3-5-16(19)17(14)18/h3-8,15H,9-10,20H2,1-2H3
InChIKeyNPRXDCMZKCVEOU-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.21
Rot. Bonds4

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

1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine (PubChem CID 115983731) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine
PubChem CID115983731
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine
SMILESCc1cc(C)cc(CC(N)Cc2cccc(F)c2Cl)c1
InChIInChI=1S/C17H19ClFN/c1-11-6-12(2)8-13(7-11)9-15(20)10-14-4-3-5-16(19)17(14)18/h3-8,15H,9-10,20H2,1-2H3
InChIKeyNPRXDCMZKCVEOU-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105212595
1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine
CID 105032555
1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine
CID 112653635
1-(2-chloro-3-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 112653689
1-(2-chloro-4-methylphenyl)-3-(3,5-dimethylphenyl)propan-2-amine
CID 106868091
1-(2-chloro-3-fluorophenyl)octan-2-amine
CID 105032513
1-(2-chloro-3-fluorophenyl)nonan-2-amine
CID 105032502
2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine
CID 105032399
2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 115983386
2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 105032520
1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 107311717
1-(4-chlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 62601232

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine (CID 115983731) is 1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine is Cc1cc(C)cc(CC(N)Cc2cccc(F)c2Cl)c1.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine?
The InChIKey is NPRXDCMZKCVEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-11-6-12(2)8-13(7-11)9-15(20)10-14-4-3-5-16(19)17(14)18/h3-8,15H,9-10,20H2,1-2H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine?
1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine has a molecular weight of 291.80 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 115983731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).