2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine

C14H19ClFN — CID 107191652

IUPAC2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine
SMILESCC1CCCC1C(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C14H19ClFN/c1-9-4-2-6-11(9)13(17)8-10-5-3-7-12(15)14(10)16/h3,5,7,9,11,13H,2,4,6,8,17H2,1H3
InChIKeyNVCLHUAWGDUYKA-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.79
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine

2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine (PubChem CID 107191652) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine
PubChem CID107191652
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine
SMILESCC1CCCC1C(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C14H19ClFN/c1-9-4-2-6-11(9)13(17)8-10-5-3-7-12(15)14(10)16/h3,5,7,9,11,13H,2,4,6,8,17H2,1H3
InChIKeyNVCLHUAWGDUYKA-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
CID 82805344
2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107188247
2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107191661
1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine
CID 82806050
2-(3-chloro-2-fluorophenyl)-1-(thian-2-yl)ethanamine
CID 102857840
2-(3-chlorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107179608
[2-(3-chloro-2-fluorophenyl)-1-cyclopropylethyl]hydrazine
CID 105264277
[2-(3-chloro-2-fluorophenyl)-1-cycloheptylethyl]hydrazine
CID 105264361
2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone
CID 107187655
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455
2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol
CID 82802497
2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride
CID 170892601

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine (CID 107191652) is 2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine is CC1CCCC1C(N)Cc1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine?
The InChIKey is NVCLHUAWGDUYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-9-4-2-6-11(9)13(17)8-10-5-3-7-12(15)14(10)16/h3,5,7,9,11,13H,2,4,6,8,17H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine?
2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine has a molecular weight of 255.76 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine is sourced from PubChem (CID 107191652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).