[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopentyl]methanamine

C14H18F3N — CID 117396517

IUPAC[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopentyl]methanamine
SMILESCc1cccc(C(F)(F)F)c1C1(CN)CCCC1
InChIInChI=1S/C14H18F3N/c1-10-5-4-6-11(14(15,16)17)12(10)13(9-18)7-2-3-8-13/h4-6H,2-3,7-9,18H2,1H3
InChIKeyRBCFEQHPAYGETR-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.78
Rot. Bonds2

About [1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopentyl]methanamine

[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopentyl]methanamine (PubChem CID 117396517) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is [1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopentyl]methanamine
PubChem CID117396517
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopentyl]methanamine
SMILESCc1cccc(C(F)(F)F)c1C1(CN)CCCC1
InChIInChI=1S/C14H18F3N/c1-10-5-4-6-11(14(15,16)17)12(10)13(9-18)7-2-3-8-13/h4-6H,2-3,7-9,18H2,1H3
InChIKeyRBCFEQHPAYGETR-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopentyl]methanamine?
The IUPAC name of [1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopentyl]methanamine (CID 117396517) is [1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopentyl]methanamine is Cc1cccc(C(F)(F)F)c1C1(CN)CCCC1.
What is the InChIKey of [1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopentyl]methanamine?
The InChIKey is RBCFEQHPAYGETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-10-5-4-6-11(14(15,16)17)12(10)13(9-18)7-2-3-8-13/h4-6H,2-3,7-9,18H2,1H3.
What are the key properties of [1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopentyl]methanamine?
[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopentyl]methanamine has a molecular weight of 257.30 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopentyl]methanamine is sourced from PubChem (CID 117396517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).