(1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine

C13H16F3NO — CID 116714051

IUPAC(1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCOC1(C(N)c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C13H16F3NO/c1-18-12(6-3-7-12)11(17)9-4-2-5-10(8-9)13(14,15)16/h2,4-5,8,11H,3,6-7,17H2,1H3
InChIKeyODHYOUDPEWFQLJ-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.27
Rot. Bonds3

About (1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine

(1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 116714051) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is (1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID116714051
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name(1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCOC1(C(N)c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C13H16F3NO/c1-18-12(6-3-7-12)11(17)9-4-2-5-10(8-9)13(14,15)16/h2,4-5,8,11H,3,6-7,17H2,1H3
InChIKeyODHYOUDPEWFQLJ-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1-methoxycyclopentyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105268841
(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 116765461
(1-methoxycycloheptyl)-(3-methylphenyl)methanamine
CID 116769914
(3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 107129160
(3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine
CID 116713947
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
[1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105268693
(3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine
CID 104610743
2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine
CID 79298392
(3-fluoro-5-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 116714117
1-(2-bromo-1-methoxyethyl)-3-(trifluoromethyl)benzene
CID 10589008
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine (CID 116714051) is (1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine is COC1(C(N)c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of (1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ODHYOUDPEWFQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-18-12(6-3-7-12)11(17)9-4-2-5-10(8-9)13(14,15)16/h2,4-5,8,11H,3,6-7,17H2,1H3.
What are the key properties of (1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine?
(1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 259.27 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 116714051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).