4-cyclopentyl-1-(2,5-difluorophenyl)-N-propylbutan-2-amine

C18H27F2N — CID 115809797

IUPAC4-cyclopentyl-1-(2,5-difluorophenyl)-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCC1)Cc1cc(F)ccc1F
InChIInChI=1S/C18H27F2N/c1-2-11-21-17(9-7-14-5-3-4-6-14)13-15-12-16(19)8-10-18(15)20/h8,10,12,14,17,21H,2-7,9,11,13H2,1H3
InChIKeyIMJOUYCWZSMEAW-UHFFFAOYSA-N
MW295.42 g/mol
LogP4.85
Rot. Bonds8

About 4-cyclopentyl-1-(2,5-difluorophenyl)-N-propylbutan-2-amine

4-cyclopentyl-1-(2,5-difluorophenyl)-N-propylbutan-2-amine (PubChem CID 115809797) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is 4-cyclopentyl-1-(2,5-difluorophenyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-1-(2,5-difluorophenyl)-N-propylbutan-2-amine
PubChem CID115809797
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name4-cyclopentyl-1-(2,5-difluorophenyl)-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCC1)Cc1cc(F)ccc1F
InChIInChI=1S/C18H27F2N/c1-2-11-21-17(9-7-14-5-3-4-6-14)13-15-12-16(19)8-10-18(15)20/h8,10,12,14,17,21H,2-7,9,11,13H2,1H3
InChIKeyIMJOUYCWZSMEAW-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluorophenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105105020
N-[2-(2,5-difluorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107187960
N-[2-(2,5-difluorophenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80626944
[4-cyclohexyl-1-(2,4-difluorophenyl)butan-2-yl]hydrazine
CID 105291836
3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43494684
[4-cyclohexyl-1-(4-fluoro-2-methylphenyl)butan-2-yl]hydrazine
CID 105340839
1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine
CID 115848931
1-(2,5-difluorophenyl)pentan-2-ylhydrazine
CID 105202060
4-cyclopentyl-1-(2,5-dichlorophenyl)-N-ethylbutan-2-amine
CID 115863120
1-(5-chloro-2-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine
CID 103049082
1-cyclohexyl-N-propylhexan-3-amine
CID 63400154
4-cyclohexyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine
CID 66446892

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-(2,5-difluorophenyl)-N-propylbutan-2-amine?
The IUPAC name of 4-cyclopentyl-1-(2,5-difluorophenyl)-N-propylbutan-2-amine (CID 115809797) is 4-cyclopentyl-1-(2,5-difluorophenyl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-cyclopentyl-1-(2,5-difluorophenyl)-N-propylbutan-2-amine?
The canonical SMILES for 4-cyclopentyl-1-(2,5-difluorophenyl)-N-propylbutan-2-amine is CCCNC(CCC1CCCC1)Cc1cc(F)ccc1F.
What is the InChIKey of 4-cyclopentyl-1-(2,5-difluorophenyl)-N-propylbutan-2-amine?
The InChIKey is IMJOUYCWZSMEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-2-11-21-17(9-7-14-5-3-4-6-14)13-15-12-16(19)8-10-18(15)20/h8,10,12,14,17,21H,2-7,9,11,13H2,1H3.
What are the key properties of 4-cyclopentyl-1-(2,5-difluorophenyl)-N-propylbutan-2-amine?
4-cyclopentyl-1-(2,5-difluorophenyl)-N-propylbutan-2-amine has a molecular weight of 295.42 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-(2,5-difluorophenyl)-N-propylbutan-2-amine is sourced from PubChem (CID 115809797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).