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

C14H18F3NO2 — CID 103081758

IUPAC3-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
SMILESCOC1CCC(NCc2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3NO2/c1-19-12-6-5-11(8-12)18-9-10-3-2-4-13(7-10)20-14(15,16)17/h2-4,7,11-12,18H,5-6,8-9H2,1H3
InChIKeyYJAVVLRYORJUEE-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.24
Rot. Bonds5

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

3-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine (PubChem CID 103081758) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
PubChem CID103081758
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name3-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
SMILESCOC1CCC(NCc2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3NO2/c1-19-12-6-5-11(8-12)18-9-10-3-2-4-13(7-10)20-14(15,16)17/h2-4,7,11-12,18H,5-6,8-9H2,1H3
InChIKeyYJAVVLRYORJUEE-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclobutan-1-amine
CID 103720846
3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine
CID 104587979
4-N,4-N,2-trimethyl-6-N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]cyclohexyl]pyrimidine-4,6-diamine
CID 68979442
N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine
CID 114521707
N-[(4-tert-butylphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081446
2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine
CID 103700140
N-ethyl-3-[3-(trifluoromethoxy)phenyl]cyclopentan-1-amine
CID 64503099
4-N,6-N,6-N-trimethyl-4-N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]cyclohexyl]pyrimidine-4,6-diamine
CID 154283599
3-methoxy-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 104587932
3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 104587859
N-ethyl-N-[3-[[3-(trifluoromethoxy)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide
CID 135170971
3-[[(4-methoxycyclohexyl)amino]methyl]benzonitrile
CID 113414372

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine?
The IUPAC name of 3-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine (CID 103081758) is 3-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine?
The canonical SMILES for 3-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine is COC1CCC(NCc2cccc(OC(F)(F)F)c2)C1.
What is the InChIKey of 3-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine?
The InChIKey is YJAVVLRYORJUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-19-12-6-5-11(8-12)18-9-10-3-2-4-13(7-10)20-14(15,16)17/h2-4,7,11-12,18H,5-6,8-9H2,1H3.
What are the key properties of 3-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine?
3-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine has a molecular weight of 289.30 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 103081758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).