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

C14H18F3NO — CID 64503099

IUPACN-ethyl-3-[3-(trifluoromethoxy)phenyl]cyclopentan-1-amine
SMILESCCNC1CCC(c2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3NO/c1-2-18-12-7-6-11(8-12)10-4-3-5-13(9-10)19-14(15,16)17/h3-5,9,11-12,18H,2,6-8H2,1H3
InChIKeyFGZUEQVJUWEWEG-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.83
Rot. Bonds4

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

N-ethyl-3-[3-(trifluoromethoxy)phenyl]cyclopentan-1-amine (PubChem CID 64503099) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is N-ethyl-3-[3-(trifluoromethoxy)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[3-(trifluoromethoxy)phenyl]cyclopentan-1-amine
PubChem CID64503099
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN-ethyl-3-[3-(trifluoromethoxy)phenyl]cyclopentan-1-amine
SMILESCCNC1CCC(c2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3NO/c1-2-18-12-7-6-11(8-12)10-4-3-5-13(9-10)19-14(15,16)17/h3-5,9,11-12,18H,2,6-8H2,1H3
InChIKeyFGZUEQVJUWEWEG-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,5S)-2-methoxy-N,N-dimethyl-5-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine
CID 153367544
3-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
CID 103081758
N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 64504260
(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 153367461
N-propyl-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-amine
CID 63511320
3-(2,6-difluorophenyl)-N-ethylcyclopentan-1-amine
CID 64504263
3-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclobutan-1-amine
CID 103720846
2-[3-(trifluoromethoxy)phenyl]adamantane
CID 91149986
2,2-diethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 81415026
N-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine
CID 107105216
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
N-[4-[3-(trifluoromethoxy)phenyl]pent-3-enyl]cyclopropanamine
CID 79598631

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(trifluoromethoxy)phenyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-3-[3-(trifluoromethoxy)phenyl]cyclopentan-1-amine (CID 64503099) is N-ethyl-3-[3-(trifluoromethoxy)phenyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-[3-(trifluoromethoxy)phenyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-[3-(trifluoromethoxy)phenyl]cyclopentan-1-amine is CCNC1CCC(c2cccc(OC(F)(F)F)c2)C1.
What is the InChIKey of N-ethyl-3-[3-(trifluoromethoxy)phenyl]cyclopentan-1-amine?
The InChIKey is FGZUEQVJUWEWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-2-18-12-7-6-11(8-12)10-4-3-5-13(9-10)19-14(15,16)17/h3-5,9,11-12,18H,2,6-8H2,1H3.
What are the key properties of N-ethyl-3-[3-(trifluoromethoxy)phenyl]cyclopentan-1-amine?
N-ethyl-3-[3-(trifluoromethoxy)phenyl]cyclopentan-1-amine has a molecular weight of 273.30 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(trifluoromethoxy)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 64503099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).