1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine

C14H17F4NO — CID 103991711

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine
SMILESCOC1(CNCc2ccc(F)c(C(F)(F)F)c2)CCC1
InChIInChI=1S/C14H17F4NO/c1-20-13(5-2-6-13)9-19-8-10-3-4-12(15)11(7-10)14(16,17)18/h3-4,7,19H,2,5-6,8-9H2,1H3
InChIKeyVKJDCMCAJSANDO-UHFFFAOYSA-N
MW291.29 g/mol
LogP3.50
Rot. Bonds5

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine

1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine (PubChem CID 103991711) has the molecular formula C14H17F4NO and a molecular weight of 291.29 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine
PubChem CID103991711
Molecular FormulaC14H17F4NO
Molecular Weight291.29 g/mol
Exact Mass291.12
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine
SMILESCOC1(CNCc2ccc(F)c(C(F)(F)F)c2)CCC1
InChIInChI=1S/C14H17F4NO/c1-20-13(5-2-6-13)9-19-8-10-3-4-12(15)11(7-10)14(16,17)18/h3-4,7,19H,2,5-6,8-9H2,1H3
InChIKeyVKJDCMCAJSANDO-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991536
1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991560
N-[(1-methoxycyclobutyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 103991656
N-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine
CID 103991561
4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol
CID 102809731
2-bromo-4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol
CID 114118923
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,2-dimethylbutan-1-amine
CID 103460427
N-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine
CID 103991761
ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 145483743
N-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine
CID 103991879
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-propan-2-yloxyethanamine
CID 104588155
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-methylbut-2-en-1-amine
CID 103527880

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine (CID 103991711) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine is COC1(CNCc2ccc(F)c(C(F)(F)F)c2)CCC1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine?
The InChIKey is VKJDCMCAJSANDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NO/c1-20-13(5-2-6-13)9-19-8-10-3-4-12(15)11(7-10)14(16,17)18/h3-4,7,19H,2,5-6,8-9H2,1H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine has a molecular weight of 291.29 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine is sourced from PubChem (CID 103991711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).