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

C15H21ClFN — CID 63033860

IUPAC1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(F)cc1Cl)CC1CCCC1
InChIInChI=1S/C15H21ClFN/c1-18-14(8-11-4-2-3-5-11)9-12-6-7-13(17)10-15(12)16/h6-7,10-11,14,18H,2-5,8-9H2,1H3
InChIKeyGIHNZKNGINNMBK-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.19
Rot. Bonds5

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

1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine (PubChem CID 63033860) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine
PubChem CID63033860
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(F)cc1Cl)CC1CCCC1
InChIInChI=1S/C15H21ClFN/c1-18-14(8-11-4-2-3-5-11)9-12-6-7-13(17)10-15(12)16/h6-7,10-11,14,18H,2-5,8-9H2,1H3
InChIKeyGIHNZKNGINNMBK-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105133234
1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
CID 64560428
1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63420165
1-cycloheptyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 115839945
1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768
1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
CID 103168480
1-(2-chlorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
CID 65459954
1-(3-chloro-4-pyridinyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 112655636
1-(2-bromo-4-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105136332
1-(2-chloro-4-fluorophenyl)-4-methoxy-N-methylbutan-2-amine
CID 62604095
1-(2,4-dichlorophenyl)-N-methyl-3-(oxan-4-yl)propan-2-amine
CID 62601524
2-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol
CID 65399387

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine (CID 63033860) is 1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine is CNC(Cc1ccc(F)cc1Cl)CC1CCCC1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine?
The InChIKey is GIHNZKNGINNMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-18-14(8-11-4-2-3-5-11)9-12-6-7-13(17)10-15(12)16/h6-7,10-11,14,18H,2-5,8-9H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine?
1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine has a molecular weight of 269.79 g/mol, XLogP of 4.19, 5 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-cyclopentyl-N-methylpropan-2-amine is sourced from PubChem (CID 63033860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).