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

C17H25ClFN — CID 103043472

IUPAC1-(3-chloro-4-fluorophenyl)-4-cyclopentyl-N-ethylbutan-2-amine
SMILESCCNC(CCC1CCCC1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H25ClFN/c1-2-20-15(9-7-13-5-3-4-6-13)11-14-8-10-17(19)16(18)12-14/h8,10,12-13,15,20H,2-7,9,11H2,1H3
InChIKeyMARKCVVUCXAOCW-UHFFFAOYSA-N
MW297.85 g/mol
LogP4.97
Rot. Bonds7

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

1-(3-chloro-4-fluorophenyl)-4-cyclopentyl-N-ethylbutan-2-amine (PubChem CID 103043472) has the molecular formula C17H25ClFN and a molecular weight of 297.85 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-4-cyclopentyl-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-4-cyclopentyl-N-ethylbutan-2-amine
PubChem CID103043472
Molecular FormulaC17H25ClFN
Molecular Weight297.85 g/mol
Exact Mass297.17
IUPAC Name1-(3-chloro-4-fluorophenyl)-4-cyclopentyl-N-ethylbutan-2-amine
SMILESCCNC(CCC1CCCC1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H25ClFN/c1-2-20-15(9-7-13-5-3-4-6-13)11-14-8-10-17(19)16(18)12-14/h8,10,12-13,15,20H,2-7,9,11H2,1H3
InChIKeyMARKCVVUCXAOCW-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-cyclopentyl-1-(2,5-dichlorophenyl)-N-ethylbutan-2-amine
CID 115863120
4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine
CID 63527108
4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
CID 105412616
1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol
CID 103043661
1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine
CID 103043062
4-cyclopentyl-N-ethyl-1-phenylbutan-2-amine
CID 63526556
2-(3-chloro-4-fluorophenyl)-1-cyclohexyl-N-ethylethanamine
CID 103039852
1-(4-chloro-3-fluorophenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 114013343
1-(3-bromo-4-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 115818461
1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105022589
4-cyclopentyl-N-ethyl-1-(4-nitrophenyl)butan-2-amine
CID 61065009
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-ethylcyclohexyl)ethanamine
CID 103040129

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-4-cyclopentyl-N-ethylbutan-2-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-4-cyclopentyl-N-ethylbutan-2-amine (CID 103043472) is 1-(3-chloro-4-fluorophenyl)-4-cyclopentyl-N-ethylbutan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-4-cyclopentyl-N-ethylbutan-2-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-4-cyclopentyl-N-ethylbutan-2-amine is CCNC(CCC1CCCC1)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-4-cyclopentyl-N-ethylbutan-2-amine?
The InChIKey is MARKCVVUCXAOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-2-20-15(9-7-13-5-3-4-6-13)11-14-8-10-17(19)16(18)12-14/h8,10,12-13,15,20H,2-7,9,11H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-4-cyclopentyl-N-ethylbutan-2-amine?
1-(3-chloro-4-fluorophenyl)-4-cyclopentyl-N-ethylbutan-2-amine has a molecular weight of 297.85 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-4-cyclopentyl-N-ethylbutan-2-amine is sourced from PubChem (CID 103043472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).