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

C15H22F3NO — CID 63452559

IUPAC4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine
SMILESCC(C)CCCNC(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-11(2)5-4-10-19-12(3)13-6-8-14(9-7-13)20-15(16,17)18/h6-9,11-12,19H,4-5,10H2,1-3H3
InChIKeyNFPCUMCSZGWUGA-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.67
Rot. Bonds7

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

4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine (PubChem CID 63452559) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine
PubChem CID63452559
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine
SMILESCC(C)CCCNC(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-11(2)5-4-10-19-12(3)13-6-8-14(9-7-13)20-15(16,17)18/h6-9,11-12,19H,4-5,10H2,1-3H3
InChIKeyNFPCUMCSZGWUGA-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pentan-2-ol
CID 107270306
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306
2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 43190379
N-(4-methylpentyl)-4-(trifluoromethoxy)aniline
CID 83157081
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 54914008
N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide
CID 43567720
3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]but-2-en-1-amine
CID 106179794
2-methyl-3-methylsulfanyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 63981698
2-methylsulfinyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115896100
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 43195719
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 64548302

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine?
The IUPAC name of 4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine (CID 63452559) is 4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine?
The canonical SMILES for 4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine is CC(C)CCCNC(C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine?
The InChIKey is NFPCUMCSZGWUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-11(2)5-4-10-19-12(3)13-6-8-14(9-7-13)20-15(16,17)18/h6-9,11-12,19H,4-5,10H2,1-3H3.
What are the key properties of 4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine?
4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine is sourced from PubChem (CID 63452559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).