N-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline

C13H16F3N — CID 64501837

IUPACN-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline
SMILESCC1CCC(Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H16F3N/c1-9-6-7-10(8-9)17-12-5-3-2-4-11(12)13(14,15)16/h2-5,9-10,17H,6-8H2,1H3
InChIKeyXCKDGZCPQZAXHT-UHFFFAOYSA-N
MW243.27 g/mol
LogP4.31
Rot. Bonds2

About N-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline

N-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline (PubChem CID 64501837) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline
PubChem CID64501837
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC NameN-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline
SMILESCC1CCC(Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H16F3N/c1-9-6-7-10(8-9)17-12-5-3-2-4-11(12)13(14,15)16/h2-5,9-10,17H,6-8H2,1H3
InChIKeyXCKDGZCPQZAXHT-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-tert-butylcyclohexyl)-2-(trifluoromethyl)aniline
CID 4711830
2-bromo-N-(3-methylcyclopentyl)aniline
CID 64501645
N-[2-(trifluoromethyl)phenyl]thian-4-amine
CID 43511244
2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376142
1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 47031918
2-(ethoxymethyl)-N-(3-methylcyclopentyl)aniline
CID 64500672
N-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)aniline
CID 63536597
2-methyl-N-[(1R,3S)-3-methylcyclopentyl]pyridin-3-amine
CID 97044872
3-bromo-2-methyl-N-(3-methylcyclopentyl)aniline
CID 107629941
N-(3-methylcyclopentyl)-2-(pyrazol-1-ylmethyl)aniline
CID 64501283
2,5-difluoro-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376152
2-[methyl-(4-methylcyclohexyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 51226770

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline?
The IUPAC name of N-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline (CID 64501837) is N-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline is CC1CCC(Nc2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline?
The InChIKey is XCKDGZCPQZAXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-9-6-7-10(8-9)17-12-5-3-2-4-11(12)13(14,15)16/h2-5,9-10,17H,6-8H2,1H3.
What are the key properties of N-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline?
N-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline has a molecular weight of 243.27 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 64501837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).