N-[(2-cyclopropylphenyl)methyl]-5,5,5-trifluoropentan-1-amine

C15H20F3N — CID 115491475

IUPACN-[(2-cyclopropylphenyl)methyl]-5,5,5-trifluoropentan-1-amine
SMILESFC(F)(F)CCCCNCc1ccccc1C1CC1
InChIInChI=1S/C15H20F3N/c16-15(17,18)9-3-4-10-19-11-13-5-1-2-6-14(13)12-7-8-12/h1-2,5-6,12,19H,3-4,7-11H2
InChIKeyCYVCAGTWDYCUBU-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.39
Rot. Bonds7

About N-[(2-cyclopropylphenyl)methyl]-5,5,5-trifluoropentan-1-amine

N-[(2-cyclopropylphenyl)methyl]-5,5,5-trifluoropentan-1-amine (PubChem CID 115491475) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-5,5,5-trifluoropentan-1-amine
PubChem CID115491475
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-5,5,5-trifluoropentan-1-amine
SMILESFC(F)(F)CCCCNCc1ccccc1C1CC1
InChIInChI=1S/C15H20F3N/c16-15(17,18)9-3-4-10-19-11-13-5-1-2-6-14(13)12-7-8-12/h1-2,5-6,12,19H,3-4,7-11H2
InChIKeyCYVCAGTWDYCUBU-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979438
2-[(5,5,5-trifluoropentylamino)methyl]phenol
CID 115491381
5-[(2-cyclopropylphenyl)methylamino]pentanamide
CID 106234312
2-[(5,5,5-trifluoropentylamino)methyl]aniline
CID 113327123
N-[(2-cyclopropylphenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 79889051
5,5,5-trifluoro-N-[(2-methoxyphenyl)methyl]pentan-1-amine
CID 115491458
N-[3-[(2-cyclopropylphenyl)methylamino]propyl]methanesulfonamide
CID 103739279
N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 79983931
N-[(2-ethylphenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326356
1-[(2-cyclopropylphenyl)methylamino]-2-methylpropan-2-ol
CID 79888885
N-[(2-cyclopropylphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 79889960
4-[(5,5,5-trifluoropentylamino)methyl]benzene-1,3-diol
CID 113321749

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-5,5,5-trifluoropentan-1-amine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-5,5,5-trifluoropentan-1-amine (CID 115491475) is N-[(2-cyclopropylphenyl)methyl]-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-5,5,5-trifluoropentan-1-amine is FC(F)(F)CCCCNCc1ccccc1C1CC1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-5,5,5-trifluoropentan-1-amine?
The InChIKey is CYVCAGTWDYCUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c16-15(17,18)9-3-4-10-19-11-13-5-1-2-6-14(13)12-7-8-12/h1-2,5-6,12,19H,3-4,7-11H2.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-5,5,5-trifluoropentan-1-amine?
N-[(2-cyclopropylphenyl)methyl]-5,5,5-trifluoropentan-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 115491475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).