4,4,4-trifluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine

C15H22F3NO — CID 81343833

IUPAC4,4,4-trifluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine
SMILESCC(C)Oc1ccc(C(C)NCCCC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-11(2)20-14-7-5-13(6-8-14)12(3)19-10-4-9-15(16,17)18/h5-8,11-12,19H,4,9-10H2,1-3H3
InChIKeyOZIZXKDZHIIEMK-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.47
Rot. Bonds7

About 4,4,4-trifluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine

4,4,4-trifluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine (PubChem CID 81343833) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine
PubChem CID81343833
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name4,4,4-trifluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine
SMILESCC(C)Oc1ccc(C(C)NCCCC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-11(2)20-14-7-5-13(6-8-14)12(3)19-10-4-9-15(16,17)18/h5-8,11-12,19H,4,9-10H2,1-3H3
InChIKeyOZIZXKDZHIIEMK-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
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

N-[1-(4-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43102192
3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine
CID 55155806
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137
5,5,5-trifluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pentan-1-amine
CID 115517454
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 81370484
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209430
1-[4-(difluoromethoxy)phenyl]-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 103778139
(1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 171210773
3-[1-(4,4,4-trifluorobutylamino)ethyl]phenol
CID 113326927
N'-[1-[4-(difluoromethoxy)phenyl]ethyl]butane-1,4-diamine
CID 60895427
4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine
CID 63452559
N-[1-(4-propan-2-yloxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64548241

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine (CID 81343833) is 4,4,4-trifluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine is CC(C)Oc1ccc(C(C)NCCCC(F)(F)F)cc1.
What is the InChIKey of 4,4,4-trifluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine?
The InChIKey is OZIZXKDZHIIEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-11(2)20-14-7-5-13(6-8-14)12(3)19-10-4-9-15(16,17)18/h5-8,11-12,19H,4,9-10H2,1-3H3.
What are the key properties of 4,4,4-trifluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine?
4,4,4-trifluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine is sourced from PubChem (CID 81343833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).