1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

C15H22F3NO — CID 103207070

IUPAC1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC(C)Cc1ccc(C(N)CCOCC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-11(2)9-12-3-5-13(6-4-12)14(19)7-8-20-10-15(16,17)18/h3-6,11,14H,7-10,19H2,1-2H3
InChIKeyUPWIBPIZLVCAOS-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.85
Rot. Bonds7

About 1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103207070) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103207070
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC(C)Cc1ccc(C(N)CCOCC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-11(2)9-12-3-5-13(6-4-12)14(19)7-8-20-10-15(16,17)18/h3-6,11,14H,7-10,19H2,1-2H3
InChIKeyUPWIBPIZLVCAOS-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 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 ≤ 53.85
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-methyl-1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207182
2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 16786344
1-[4-(2-methylpropyl)phenyl]-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275431
1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine
CID 116831500
1-(3-bromo-4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207108
1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-1-amine
CID 61492150
2-(2-methylpentoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 103283433
N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 43272065
1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147995
1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207062
1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16785577
2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200916

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103207070) is 1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is CC(C)Cc1ccc(C(N)CCOCC(F)(F)F)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is UPWIBPIZLVCAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-11(2)9-12-3-5-13(6-4-12)14(19)7-8-20-10-15(16,17)18/h3-6,11,14H,7-10,19H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103207070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).