2-(4-chloro-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine

C17H25ClFN — CID 105055283

IUPAC2-(4-chloro-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
SMILESCC(C)CC1(C(N)Cc2ccc(Cl)cc2F)CCCC1
InChIInChI=1S/C17H25ClFN/c1-12(2)11-17(7-3-4-8-17)16(20)9-13-5-6-14(18)10-15(13)19/h5-6,10,12,16H,3-4,7-9,11,20H2,1-2H3
InChIKeyWXTJIZHGFDOIQT-UHFFFAOYSA-N
MW297.84 g/mol
LogP4.96
Rot. Bonds5

About 2-(4-chloro-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine

2-(4-chloro-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine (PubChem CID 105055283) has the molecular formula C17H25ClFN and a molecular weight of 297.84 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
PubChem CID105055283
Molecular FormulaC17H25ClFN
Molecular Weight297.84 g/mol
Exact Mass297.17
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
SMILESCC(C)CC1(C(N)Cc2ccc(Cl)cc2F)CCCC1
InChIInChI=1S/C17H25ClFN/c1-12(2)11-17(7-3-4-8-17)16(20)9-13-5-6-14(18)10-15(13)19/h5-6,10,12,16H,3-4,7-9,11,20H2,1-2H3
InChIKeyWXTJIZHGFDOIQT-UHFFFAOYSA-N
XLogP4.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.84
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine (CID 105055283) is 2-(4-chloro-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine is CC(C)CC1(C(N)Cc2ccc(Cl)cc2F)CCCC1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The InChIKey is WXTJIZHGFDOIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-12(2)11-17(7-3-4-8-17)16(20)9-13-5-6-14(18)10-15(13)19/h5-6,10,12,16H,3-4,7-9,11,20H2,1-2H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
2-(4-chloro-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine has a molecular weight of 297.84 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine is sourced from PubChem (CID 105055283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).