5,5,5-trifluoro-N-[1-(3-methylphenyl)ethyl]pentan-1-amine

C14H20F3N — CID 115496246

IUPAC5,5,5-trifluoro-N-[1-(3-methylphenyl)ethyl]pentan-1-amine
SMILESCc1cccc(C(C)NCCCCC(F)(F)F)c1
InChIInChI=1S/C14H20F3N/c1-11-6-5-7-13(10-11)12(2)18-9-4-3-8-14(15,16)17/h5-7,10,12,18H,3-4,8-9H2,1-2H3
InChIKeyLZHFPVJBIHBHSG-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.38
Rot. Bonds6

About 5,5,5-trifluoro-N-[1-(3-methylphenyl)ethyl]pentan-1-amine

5,5,5-trifluoro-N-[1-(3-methylphenyl)ethyl]pentan-1-amine (PubChem CID 115496246) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-[1-(3-methylphenyl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-[1-(3-methylphenyl)ethyl]pentan-1-amine
PubChem CID115496246
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name5,5,5-trifluoro-N-[1-(3-methylphenyl)ethyl]pentan-1-amine
SMILESCc1cccc(C(C)NCCCCC(F)(F)F)c1
InChIInChI=1S/C14H20F3N/c1-11-6-5-7-13(10-11)12(2)18-9-4-3-8-14(15,16)17/h5-7,10,12,18H,3-4,8-9H2,1-2H3
InChIKeyLZHFPVJBIHBHSG-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.38
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-[(1R)-1-(3-methylphenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 81361125
3-[1-(4,4,4-trifluorobutylamino)ethyl]phenol
CID 113326927
N-[1-(3-methylphenyl)ethyl]hexan-1-amine
CID 43769677
N-[(1R)-1-(3-bromophenyl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 115513834
5-[1-(3-methylphenyl)ethylamino]pentan-1-ol
CID 107303118
5-[[(1R)-1-(3-methylphenyl)ethyl]amino]pentan-1-ol
CID 81360778
N'-hydroxy-2,2-dimethyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanimidamide
CID 106711462
N-[(1S)-1-(3-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893840
3-methoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360450
N',N'-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]propane-1,3-diamine
CID 103993772
N-[(1S)-1-(3-methylphenyl)ethyl]-3-phenylpropan-1-amine
CID 81363177
4-[1-(3-methylphenyl)ethylamino]butanoic acid
CID 60782836

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-[1-(3-methylphenyl)ethyl]pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-[1-(3-methylphenyl)ethyl]pentan-1-amine (CID 115496246) is 5,5,5-trifluoro-N-[1-(3-methylphenyl)ethyl]pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-[1-(3-methylphenyl)ethyl]pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-[1-(3-methylphenyl)ethyl]pentan-1-amine is Cc1cccc(C(C)NCCCCC(F)(F)F)c1.
What is the InChIKey of 5,5,5-trifluoro-N-[1-(3-methylphenyl)ethyl]pentan-1-amine?
The InChIKey is LZHFPVJBIHBHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-11-6-5-7-13(10-11)12(2)18-9-4-3-8-14(15,16)17/h5-7,10,12,18H,3-4,8-9H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-N-[1-(3-methylphenyl)ethyl]pentan-1-amine?
5,5,5-trifluoro-N-[1-(3-methylphenyl)ethyl]pentan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-[1-(3-methylphenyl)ethyl]pentan-1-amine is sourced from PubChem (CID 115496246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).