4-propan-2-yloxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine

C18H26F3NO — CID 19823700

IUPAC4-propan-2-yloxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
SMILESCC(C)OCCCC(N)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C18H26F3NO/c1-13(2)23-11-4-8-16(22)17(9-5-10-17)14-6-3-7-15(12-14)18(19,20)21/h3,6-7,12-13,16H,4-5,8-11,22H2,1-2H3
InChIKeyIZOSFZDWIWKINP-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.66
Rot. Bonds7

About 4-propan-2-yloxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine

4-propan-2-yloxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine (PubChem CID 19823700) has the molecular formula C18H26F3NO and a molecular weight of 329.41 g/mol. Its IUPAC name is 4-propan-2-yloxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine.

Molecular Properties

Compound Name4-propan-2-yloxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
PubChem CID19823700
Molecular FormulaC18H26F3NO
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name4-propan-2-yloxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
SMILESCC(C)OCCCC(N)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C18H26F3NO/c1-13(2)23-11-4-8-16(22)17(9-5-10-17)14-6-3-7-15(12-14)18(19,20)21/h3,6-7,12-13,16H,4-5,8-11,22H2,1-2H3
InChIKeyIZOSFZDWIWKINP-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(R)-3-((1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-3-phenylcyclobutanamine
CID 10216430
2-{2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]tetrahydro-2H-pyran-4-yl}ethanamine
CID 2772142
{4-[3-(Trifluoromethyl)phenyl]oxan-4-yl}methanamine
CID 43119072
(3-Methoxy-1-phenylcyclobutyl)methanamine;hydrochloride
CID 177801614
1-(4-Fluorophenyl)-4-octan-2-yloxybutan-1-amine
CID 15181367
4-methoxy-N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 19823613
4-Amino-2-methyl-4-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol
CID 19823677
4-Amino-4-[1-(4-fluorophenyl)cyclobutyl]-1-methoxy-2-methylbutan-2-ol
CID 19823682
1-Amino-3-(ethoxymethyl)-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol
CID 19823725
1-Amino-5-ethoxy-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol
CID 19823769
4-methoxy-N,N,3-trimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 19823782
4-Methoxy-3-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 19823789

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
The IUPAC name of 4-propan-2-yloxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine (CID 19823700) is 4-propan-2-yloxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine.
What is the SMILES notation for 4-propan-2-yloxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
The canonical SMILES for 4-propan-2-yloxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine is CC(C)OCCCC(N)C1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of 4-propan-2-yloxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
The InChIKey is IZOSFZDWIWKINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3NO/c1-13(2)23-11-4-8-16(22)17(9-5-10-17)14-6-3-7-15(12-14)18(19,20)21/h3,6-7,12-13,16H,4-5,8-11,22H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
4-propan-2-yloxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine has a molecular weight of 329.41 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine is sourced from PubChem (CID 19823700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).