N-methyl-1-[3-propyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanamine

C16H22F3N — CID 65014048

IUPACN-methyl-1-[3-propyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanamine
SMILESCCCC1CC(CNC)(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H22F3N/c1-3-5-12-9-15(10-12,11-20-2)13-6-4-7-14(8-13)16(17,18)19/h4,6-8,12,20H,3,5,9-11H2,1-2H3
InChIKeyXLDYYFYTIXKTOZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.37
Rot. Bonds5

About N-methyl-1-[3-propyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanamine

N-methyl-1-[3-propyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanamine (PubChem CID 65014048) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-methyl-1-[3-propyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-propyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanamine
PubChem CID65014048
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-methyl-1-[3-propyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanamine
SMILESCCCC1CC(CNC)(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H22F3N/c1-3-5-12-9-15(10-12,11-20-2)13-6-4-7-14(8-13)16(17,18)19/h4,6-8,12,20H,3,5,9-11H2,1-2H3
InChIKeyXLDYYFYTIXKTOZ-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(3-propyl-1-pyridin-3-ylcyclobutyl)methanamine
CID 80522419
N-[[1-[3-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methyl]propan-1-amine
CID 65353510
N-[[5-[3-(trifluoromethyl)phenyl]spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008716
N-[[3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]ethanamine
CID 64998074
2-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]acetamide
CID 119805131
N-[[1-(3-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
CID 65014047
N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]ethanamine
CID 65010847
[1-(3-fluorophenyl)-3-propylcyclobutyl]methanamine
CID 65013573
cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 94419814
N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65010904
3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]butanamide
CID 119772778
3-ethyl-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid
CID 64999935

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-propyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[3-propyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanamine (CID 65014048) is N-methyl-1-[3-propyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-propyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[3-propyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanamine is CCCC1CC(CNC)(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-methyl-1-[3-propyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
The InChIKey is XLDYYFYTIXKTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-3-5-12-9-15(10-12,11-20-2)13-6-4-7-14(8-13)16(17,18)19/h4,6-8,12,20H,3,5,9-11H2,1-2H3.
What are the key properties of N-methyl-1-[3-propyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanamine?
N-methyl-1-[3-propyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanamine has a molecular weight of 285.35 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-propyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 65014048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).