2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine

C14H19ClFN — CID 107188247

IUPAC2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine
SMILESCC1CCCC1C(N)Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H19ClFN/c1-9-3-2-4-12(9)14(17)7-10-5-6-11(16)8-13(10)15/h5-6,8-9,12,14H,2-4,7,17H2,1H3
InChIKeyPERVZDXKDPAGJP-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.79
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine

2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine (PubChem CID 107188247) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine
PubChem CID107188247
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine
SMILESCC1CCCC1C(N)Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H19ClFN/c1-9-3-2-4-12(9)14(17)7-10-5-6-11(16)8-13(10)15/h5-6,8-9,12,14H,2-4,7,17H2,1H3
InChIKeyPERVZDXKDPAGJP-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

N-[2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107188252
2-(2-chloro-4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanamine
CID 115840656
2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107191652
2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65425532
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
2-(2-chloro-4-fluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105133425
2-(2-chloro-4-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanamine
CID 103345372
2-(2-chloro-4-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 65020242
2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine
CID 106867704
2-(2,4-dichlorophenyl)-1-(2-methylcyclopentyl)ethanol
CID 107192122
2-(3-chlorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107179608
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107191349

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine (CID 107188247) is 2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine is CC1CCCC1C(N)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine?
The InChIKey is PERVZDXKDPAGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-9-3-2-4-12(9)14(17)7-10-5-6-11(16)8-13(10)15/h5-6,8-9,12,14H,2-4,7,17H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine?
2-(2-chloro-4-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-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine is sourced from PubChem (CID 107188247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).