1-(4-tert-butylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

C16H24F3NO — CID 63827300

IUPAC1-(4-tert-butylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCC(NCCOCC(F)(F)F)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H24F3NO/c1-12(20-9-10-21-11-16(17,18)19)13-5-7-14(8-6-13)15(2,3)4/h5-8,12,20H,9-11H2,1-4H3
InChIKeyWCXVDZBDVUNDRF-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.21
Rot. Bonds6

About 1-(4-tert-butylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

1-(4-tert-butylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 63827300) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID63827300
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name1-(4-tert-butylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCC(NCCOCC(F)(F)F)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H24F3NO/c1-12(20-9-10-21-11-16(17,18)19)13-5-7-14(8-6-13)15(2,3)4/h5-8,12,20H,9-11H2,1-4H3
InChIKeyWCXVDZBDVUNDRF-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.21
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-[2-[2-(dimethylamino)ethoxy]ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 107094213
4-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]benzonitrile
CID 61490433
1-(4-chloro-3-fluorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 82994637
4-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]benzenesulfonamide
CID 63828539
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492242
1-(3-bromo-4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63826770
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 81370484
1-(4-tert-butylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82711120
1-(4-tert-butylphenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106426895
3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 43196227
1-(5-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 55151709
N-[(1R)-1-(3-methylphenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 81361125

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 63827300) is 1-(4-tert-butylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is CC(NCCOCC(F)(F)F)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is WCXVDZBDVUNDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-12(20-9-10-21-11-16(17,18)19)13-5-7-14(8-6-13)15(2,3)4/h5-8,12,20H,9-11H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
1-(4-tert-butylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 303.37 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 63827300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).