1-(4-cyclobutylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine

C16H22F3N — CID 116506010

IUPAC1-(4-cyclobutylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1ccc(C2CCC2)cc1
InChIInChI=1S/C16H22F3N/c1-2-10-20-15(11-16(17,18)19)14-8-6-13(7-9-14)12-4-3-5-12/h6-9,12,15,20H,2-5,10-11H2,1H3
InChIKeyHFCTYLXCVHFSPC-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.95
Rot. Bonds6

About 1-(4-cyclobutylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine

1-(4-cyclobutylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine (PubChem CID 116506010) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
PubChem CID116506010
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name1-(4-cyclobutylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1ccc(C2CCC2)cc1
InChIInChI=1S/C16H22F3N/c1-2-10-20-15(11-16(17,18)19)14-8-6-13(7-9-14)12-4-3-5-12/h6-9,12,15,20H,2-5,10-11H2,1H3
InChIKeyHFCTYLXCVHFSPC-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116506114
N-[1-(4-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 116506358
3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine
CID 43625498
1-(4-cyclobutylphenyl)-3-methoxy-N-propylpropan-1-amine
CID 116506013
1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114521599
3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
CID 107288813
N-[(4-cyclobutylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine
CID 116506348
N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 116506194
N-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 116506072
N-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 63448133
N-[(4-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105185341
N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604146

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The IUPAC name of 1-(4-cyclobutylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine (CID 116506010) is 1-(4-cyclobutylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-cyclobutylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine is CCCNC(CC(F)(F)F)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The InChIKey is HFCTYLXCVHFSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-2-10-20-15(11-16(17,18)19)14-8-6-13(7-9-14)12-4-3-5-12/h6-9,12,15,20H,2-5,10-11H2,1H3.
What are the key properties of 1-(4-cyclobutylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine?
1-(4-cyclobutylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine is sourced from PubChem (CID 116506010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).