N-[[3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]ethanamine

C16H22F3N — CID 64998074

IUPACN-[[3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1(c2cccc(C(F)(F)F)c2)CC(C)(C)C1
InChIInChI=1S/C16H22F3N/c1-4-20-11-15(9-14(2,3)10-15)12-6-5-7-13(8-12)16(17,18)19/h5-8,20H,4,9-11H2,1-3H3
InChIKeyHPJQQDSWHZUHDS-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.37
Rot. Bonds4

About N-[[3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]ethanamine

N-[[3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]ethanamine (PubChem CID 64998074) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[[3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]ethanamine
PubChem CID64998074
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-[[3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1(c2cccc(C(F)(F)F)c2)CC(C)(C)C1
InChIInChI=1S/C16H22F3N/c1-4-20-11-15(9-14(2,3)10-15)12-6-5-7-13(8-12)16(17,18)19/h5-8,20H,4,9-11H2,1-3H3
InChIKeyHPJQQDSWHZUHDS-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-[[5-[3-(trifluoromethyl)phenyl]spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008716
N-[[1-[3-(trifluoromethyl)phenyl]cyclopent-3-en-1-yl]methyl]propan-1-amine
CID 65353510
N-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine
CID 65007059
N-methyl-1-[3-propyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 65014048
N-[[3,3-dimethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 64998081
1-ethyl-3-(2-hydroxyethyl)-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]guanidine
CID 111987671
N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide
CID 71998503
cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 94419814
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 80705627
1-ethyl-3-(2-hydroxyethyl)-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]guanidine;hydroiodide
CID 111987670
2-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]acetamide
CID 119805131
4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 63156452

Frequently Asked Questions

What is the IUPAC name of N-[[3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]ethanamine (CID 64998074) is N-[[3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]ethanamine is CCNCC1(c2cccc(C(F)(F)F)c2)CC(C)(C)C1.
What is the InChIKey of N-[[3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]ethanamine?
The InChIKey is HPJQQDSWHZUHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-4-20-11-15(9-14(2,3)10-15)12-6-5-7-13(8-12)16(17,18)19/h5-8,20H,4,9-11H2,1-3H3.
What are the key properties of N-[[3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]ethanamine?
N-[[3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]ethanamine has a molecular weight of 285.35 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 64998074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).