4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine

C17H24F3N — CID 63528992

IUPAC4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
SMILESCNC(CCC1CCCC1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H24F3N/c1-21-16(11-8-13-4-2-3-5-13)12-14-6-9-15(10-7-14)17(18,19)20/h6-7,9-10,13,16,21H,2-5,8,11-12H2,1H3
InChIKeyUUVCCGMTHBKOIM-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.81
Rot. Bonds6

About 4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine

4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine (PubChem CID 63528992) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
PubChem CID63528992
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
SMILESCNC(CCC1CCCC1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H24F3N/c1-21-16(11-8-13-4-2-3-5-13)12-14-6-9-15(10-7-14)17(18,19)20/h6-7,9-10,13,16,21H,2-5,8,11-12H2,1H3
InChIKeyUUVCCGMTHBKOIM-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 115863531
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79953449
4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine
CID 63526762
N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 55040773
N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine
CID 114752994
4-cyclohexyl-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 61077655
4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 115829566
N-methyl-4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 115848283
[4-cyclopentyl-1-(4-methylphenyl)butan-2-yl]hydrazine
CID 105284261
1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine
CID 105015590
1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine
CID 63528999
3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine
CID 102757776

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine?
The IUPAC name of 4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine (CID 63528992) is 4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine.
What is the SMILES notation for 4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine?
The canonical SMILES for 4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine is CNC(CCC1CCCC1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine?
The InChIKey is UUVCCGMTHBKOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-21-16(11-8-13-4-2-3-5-13)12-14-6-9-15(10-7-14)17(18,19)20/h6-7,9-10,13,16,21H,2-5,8,11-12H2,1H3.
What are the key properties of 4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine?
4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine has a molecular weight of 299.38 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine is sourced from PubChem (CID 63528992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).