4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine

C15H22F3N — CID 63452516

IUPAC4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine
SMILESCC(C)CCCNC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3N/c1-11(2)7-6-10-19-12(3)13-8-4-5-9-14(13)15(16,17)18/h4-5,8-9,11-12,19H,6-7,10H2,1-3H3
InChIKeyDJUBWQUMPLOBEI-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.79
Rot. Bonds6

About 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine

4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine (PubChem CID 63452516) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine
PubChem CID63452516
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine
SMILESCC(C)CCCNC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3N/c1-11(2)7-6-10-19-12(3)13-8-4-5-9-14(13)15(16,17)18/h4-5,8-9,11-12,19H,6-7,10H2,1-3H3
InChIKeyDJUBWQUMPLOBEI-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.79
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',N'-diethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine
CID 43106993
N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 54931550
N-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 75427916
2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43111148
N-(5-methylhexyl)-2-(trifluoromethyl)aniline
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2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 16771420
N-[(1-methylcyclopropyl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 113348726
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 75428017
N-[1-(2,3-dichlorophenyl)ethyl]-4-methylpentan-1-amine
CID 114079561
N-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine
CID 43103321
N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 43096041
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 103777178

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine?
The IUPAC name of 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine (CID 63452516) is 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine?
The canonical SMILES for 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine is CC(C)CCCNC(C)c1ccccc1C(F)(F)F.
What is the InChIKey of 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine?
The InChIKey is DJUBWQUMPLOBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-11(2)7-6-10-19-12(3)13-8-4-5-9-14(13)15(16,17)18/h4-5,8-9,11-12,19H,6-7,10H2,1-3H3.
What are the key properties of 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine?
4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine is sourced from PubChem (CID 63452516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).