3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine

C16H22F3N — CID 104994854

IUPAC3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESCCCNC(CCC1CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H22F3N/c1-2-11-20-15(10-9-12-7-8-12)13-5-3-4-6-14(13)16(17,18)19/h3-6,12,15,20H,2,7-11H2,1H3
InChIKeyRAHUTOCZXIRJSK-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.94
Rot. Bonds7

About 3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine

3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 104994854) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID104994854
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESCCCNC(CCC1CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H22F3N/c1-2-11-20-15(10-9-12-7-8-12)13-5-3-4-6-14(13)16(17,18)19/h3-6,12,15,20H,2,7-11H2,1H3
InChIKeyRAHUTOCZXIRJSK-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine
CID 115794758
N-[1-(2-tert-butylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 104986526
N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 64986702
N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63413337
3-methoxy-3-methyl-N-propyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 103026863
3-cyclopentyl-1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 115792780
N-[oxan-4-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65334774
N-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65420429
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
1-(2-tert-butylphenyl)-N-propylpentan-1-amine
CID 115832932
N-propyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine
CID 63559977
3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 105157948

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine (CID 104994854) is 3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine is CCCNC(CCC1CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is RAHUTOCZXIRJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-2-11-20-15(10-9-12-7-8-12)13-5-3-4-6-14(13)16(17,18)19/h3-6,12,15,20H,2,7-11H2,1H3.
What are the key properties of 3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 104994854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).