N-[2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine

C17H25ClFN — CID 107188252

IUPACN-[2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1Cl)C1CCCC1C
InChIInChI=1S/C17H25ClFN/c1-3-9-20-17(15-6-4-5-12(15)2)10-13-7-8-14(19)11-16(13)18/h7-8,11-12,15,17,20H,3-6,9-10H2,1-2H3
InChIKeyWLQGOLNYEMBSCX-UHFFFAOYSA-N
MW297.84 g/mol
LogP4.83
Rot. Bonds6

About N-[2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine

N-[2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine (PubChem CID 107188252) has the molecular formula C17H25ClFN and a molecular weight of 297.84 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
PubChem CID107188252
Molecular FormulaC17H25ClFN
Molecular Weight297.84 g/mol
Exact Mass297.17
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1Cl)C1CCCC1C
InChIInChI=1S/C17H25ClFN/c1-3-9-20-17(15-6-4-5-12(15)2)10-13-7-8-14(19)11-16(13)18/h7-8,11-12,15,17,20H,3-6,9-10H2,1-2H3
InChIKeyWLQGOLNYEMBSCX-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 ≤ 500297.84
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107187960
N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine
CID 55095503
N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine
CID 65399267
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(2-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 115840407
N-[2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115840490
2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107188247
N-[2-(2,3-dichlorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107312289
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107191349
N-[2-(2-chloro-4-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethyl]propan-1-amine
CID 115337034
N-[2-(2-chloro-4-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352793
N-[(2,4-difluorophenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177529
N-[2-(2-bromo-5-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 65419774

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine (CID 107188252) is N-[2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)cc1Cl)C1CCCC1C.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine?
The InChIKey is WLQGOLNYEMBSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-3-9-20-17(15-6-4-5-12(15)2)10-13-7-8-14(19)11-16(13)18/h7-8,11-12,15,17,20H,3-6,9-10H2,1-2H3.
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine?
N-[2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine has a molecular weight of 297.84 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 N-[2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine is sourced from PubChem (CID 107188252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).