3-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine

C16H22F3N — CID 103561386

IUPAC3-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine
SMILESCC(NC1CC(C(C)C)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N/c1-10(2)13-8-15(9-13)20-11(3)12-5-4-6-14(7-12)16(17,18)19/h4-7,10-11,13,15,20H,8-9H2,1-3H3
InChIKeyQTEVRQFZHXDENR-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.79
Rot. Bonds4

About 3-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine

3-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine (PubChem CID 103561386) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine
PubChem CID103561386
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name3-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine
SMILESCC(NC1CC(C(C)C)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N/c1-10(2)13-8-15(9-13)20-11(3)12-5-4-6-14(7-12)16(17,18)19/h4-7,10-11,13,15,20H,8-9H2,1-3H3
InChIKeyQTEVRQFZHXDENR-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methylsulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
CID 103786809
N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiolan-3-amine
CID 43223825
1,1-dioxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thian-4-amine
CID 43615085
(1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 81390965
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
(1S)-3-(4-methylsulfonylphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
CID 90688734
N-[(4-methylcyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63464067
N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63450355
N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43195070
cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 51968750
3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol
CID 103785891
3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 66009151

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine?
The IUPAC name of 3-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine (CID 103561386) is 3-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine is CC(NC1CC(C(C)C)C1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine?
The InChIKey is QTEVRQFZHXDENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-10(2)13-8-15(9-13)20-11(3)12-5-4-6-14(7-12)16(17,18)19/h4-7,10-11,13,15,20H,8-9H2,1-3H3.
What are the key properties of 3-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine?
3-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine is sourced from PubChem (CID 103561386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).