[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine

C14H18F3N — CID 62725893

IUPAC[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine
SMILESNCC1(Cc2ccc(C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C14H18F3N/c15-14(16,17)12-5-3-11(4-6-12)9-13(10-18)7-1-2-8-13/h3-6H,1-2,7-10,18H2
InChIKeyFBVJXVGGIFNTPE-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.77
Rot. Bonds3

About [1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine

[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine (PubChem CID 62725893) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is [1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine
PubChem CID62725893
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine
SMILESNCC1(Cc2ccc(C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C14H18F3N/c15-14(16,17)12-5-3-11(4-6-12)9-13(10-18)7-1-2-8-13/h3-6H,1-2,7-10,18H2
InChIKeyFBVJXVGGIFNTPE-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[1-(bromomethyl)cyclohexyl]methyl]-4-(trifluoromethyl)benzene
CID 66050201
[1,1-dioxo-3-[[4-(trifluoromethyl)phenyl]methyl]thiolan-3-yl]methanamine
CID 78992078
1-[[1-(chloromethyl)cyclobutyl]methyl]-4-(trifluoromethyl)benzene
CID 66035096
[4-[[1-(aminomethyl)cyclopentyl]methyl]phenyl]methanol
CID 18999623
[3-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine
CID 65409026
(1-benzylcycloheptyl)methanamine
CID 65391702
(1-benzylcyclooctyl)methanamine
CID 80602159
2-[4-[[1-(aminomethyl)cyclobutyl]methyl]phenyl]ethanol
CID 67025850
2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 62619930
2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058979
[1-[(3,4-dichlorophenyl)methyl]cycloheptyl]methanamine
CID 65390706
[1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine
CID 63522504

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine?
The IUPAC name of [1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine (CID 62725893) is [1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine is NCC1(Cc2ccc(C(F)(F)F)cc2)CCCC1.
What is the InChIKey of [1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine?
The InChIKey is FBVJXVGGIFNTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c15-14(16,17)12-5-3-11(4-6-12)9-13(10-18)7-1-2-8-13/h3-6H,1-2,7-10,18H2.
What are the key properties of [1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine?
[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine has a molecular weight of 257.30 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine is sourced from PubChem (CID 62725893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).