(2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine

C14H18F3N — CID 107188498

IUPAC(2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCC1CCCC1C(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3N/c1-9-4-2-7-12(9)13(18)10-5-3-6-11(8-10)14(15,16)17/h3,5-6,8-9,12-13H,2,4,7,18H2,1H3
InChIKeyOAJVUCWUISNBAO-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.14
Rot. Bonds2

About (2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine

(2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 107188498) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is (2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID107188498
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name(2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCC1CCCC1C(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3N/c1-9-4-2-7-12(9)13(18)10-5-3-6-11(8-10)14(15,16)17/h3,5-6,8-9,12-13H,2,4,7,18H2,1H3
InChIKeyOAJVUCWUISNBAO-UHFFFAOYSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206809
(3-chlorophenyl)-(2-methylcyclopentyl)methanamine
CID 107187965
(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 112756156
cyclobutyl-[3-(trifluoromethyl)phenyl]methanol
CID 64986539
2-(2,3-dimethylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62122833
(4-propylcyclohexyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65423947
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
[cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193958
N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 43104879
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
2-(4-methylcyclohexyl)oxy-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 45253532
N',N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 171035691

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine (CID 107188498) is (2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine is CC1CCCC1C(N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is OAJVUCWUISNBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-9-4-2-7-12(9)13(18)10-5-3-6-11(8-10)14(15,16)17/h3,5-6,8-9,12-13H,2,4,7,18H2,1H3.
What are the key properties of (2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine?
(2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 257.30 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 107188498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).