3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine

C17H25ClFN — CID 107897598

IUPAC3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccc(Cl)c(F)c1)C1CCCC1
InChIInChI=1S/C17H25ClFN/c1-12(2)20-11-15(14-5-3-4-6-14)9-13-7-8-16(18)17(19)10-13/h7-8,10,12,14-15,20H,3-6,9,11H2,1-2H3
InChIKeyRBTPUJPUDHOYPU-UHFFFAOYSA-N
MW297.85 g/mol
LogP4.83
Rot. Bonds6

About 3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine

3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine (PubChem CID 107897598) has the molecular formula C17H25ClFN and a molecular weight of 297.85 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
PubChem CID107897598
Molecular FormulaC17H25ClFN
Molecular Weight297.85 g/mol
Exact Mass297.17
IUPAC Name3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccc(Cl)c(F)c1)C1CCCC1
InChIInChI=1S/C17H25ClFN/c1-12(2)20-11-15(14-5-3-4-6-14)9-13-7-8-16(18)17(19)10-13/h7-8,10,12,14-15,20H,3-6,9,11H2,1-2H3
InChIKeyRBTPUJPUDHOYPU-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopentyl-N-propan-2-yl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 115926698
3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
CID 82933194
2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine
CID 114012687
1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
CID 107891920
2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol
CID 107883654
1-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 107884779
3-(3-chloro-4-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
CID 103041197
1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 114013343
3-(4-chloro-3-fluorophenyl)-2-(1,1-dioxothiolan-3-yl)-N-ethylpropan-1-amine
CID 107897090
3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
CID 107884380
1-chloro-4-(2-chloro-3-methylbutyl)-2-fluorobenzene
CID 130480157
2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107892144

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine (CID 107897598) is 3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine is CC(C)NCC(Cc1ccc(Cl)c(F)c1)C1CCCC1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine?
The InChIKey is RBTPUJPUDHOYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-12(2)20-11-15(14-5-3-4-6-14)9-13-7-8-16(18)17(19)10-13/h7-8,10,12,14-15,20H,3-6,9,11H2,1-2H3.
What are the key properties of 3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine?
3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine has a molecular weight of 297.85 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 107897598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).