N-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine

C14H18F3NO — CID 64505434

IUPACN-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
SMILESCNC1CCC(Cc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C14H18F3NO/c1-18-12-5-2-11(9-12)8-10-3-6-13(7-4-10)19-14(15,16)17/h3-4,6-7,11-12,18H,2,5,8-9H2,1H3
InChIKeyDUSMCBVIYKDUHH-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.52
Rot. Bonds4

About N-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine

N-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine (PubChem CID 64505434) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is N-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
PubChem CID64505434
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
SMILESCNC1CCC(Cc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C14H18F3NO/c1-18-12-5-2-11(9-12)8-10-3-6-13(7-4-10)19-14(15,16)17/h3-4,6-7,11-12,18H,2,5,8-9H2,1H3
InChIKeyDUSMCBVIYKDUHH-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 64505421
1-(cyclopropylamino)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 66038452
3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 103041633
N-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine
CID 55083756
4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926303
4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 106778601
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477
4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 118331263
1-(2-methylsulfonylethyl)-3-[[4-(trifluoromethoxy)phenyl]methyl]azetidine
CID 167819810
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43216489
N-methyl-1-[1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropyl]methanamine
CID 66025755
1-[2-[4-(4-methylpentyl)cyclohexyl]ethyl]-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19702564

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine?
The IUPAC name of N-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine (CID 64505434) is N-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine.
What is the SMILES notation for N-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine?
The canonical SMILES for N-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine is CNC1CCC(Cc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of N-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine?
The InChIKey is DUSMCBVIYKDUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-18-12-5-2-11(9-12)8-10-3-6-13(7-4-10)19-14(15,16)17/h3-4,6-7,11-12,18H,2,5,8-9H2,1H3.
What are the key properties of N-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine?
N-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine has a molecular weight of 273.30 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 64505434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).