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

C13H16F3NO — CID 103720846

IUPAC3-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclobutan-1-amine
SMILESCC1CC(NCc2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C13H16F3NO/c1-9-5-11(6-9)17-8-10-3-2-4-12(7-10)18-13(14,15)16/h2-4,7,9,11,17H,5-6,8H2,1H3
InChIKeyIOKKUZKNLGPKCF-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.47
Rot. Bonds4

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

3-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclobutan-1-amine (PubChem CID 103720846) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclobutan-1-amine
PubChem CID103720846
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name3-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclobutan-1-amine
SMILESCC1CC(NCc2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C13H16F3NO/c1-9-5-11(6-9)17-8-10-3-2-4-12(7-10)18-13(14,15)16/h2-4,7,9,11,17H,5-6,8H2,1H3
InChIKeyIOKKUZKNLGPKCF-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
CID 103081758
3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine
CID 115671617
3,5-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64724021
2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine
CID 103700140
N',N'-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 83325765
cis-(1S,2R)-2-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 51412984
[[3-(trifluoromethoxy)phenyl]methylamino]methanethiol
CID 59517995
4-N,6-N,6-N-trimethyl-4-N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]cyclohexyl]pyrimidine-4,6-diamine
CID 154283599
4-N,4-N,2-trimethyl-6-N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]cyclohexyl]pyrimidine-4,6-diamine
CID 68979442
2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine
CID 107104507
3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine
CID 104587979
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclobutan-1-amine?
The IUPAC name of 3-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclobutan-1-amine (CID 103720846) is 3-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclobutan-1-amine is CC1CC(NCc2cccc(OC(F)(F)F)c2)C1.
What is the InChIKey of 3-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclobutan-1-amine?
The InChIKey is IOKKUZKNLGPKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-9-5-11(6-9)17-8-10-3-2-4-12(7-10)18-13(14,15)16/h2-4,7,9,11,17H,5-6,8H2,1H3.
What are the key properties of 3-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclobutan-1-amine?
3-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclobutan-1-amine has a molecular weight of 259.27 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 103720846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).