2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine

C14H18F3NO — CID 114467427

IUPAC2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine
SMILESC=C(C)COCCNC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-11(2)10-19-9-8-18-13(14(15,16)17)12-6-4-3-5-7-12/h3-7,13,18H,1,8-10H2,2H3
InChIKeyRSUBJQUYGVNJTO-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.47
Rot. Bonds7

About 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine

2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine (PubChem CID 114467427) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine
PubChem CID114467427
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine
SMILESC=C(C)COCCNC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-11(2)10-19-9-8-18-13(14(15,16)17)12-6-4-3-5-7-12/h3-7,13,18H,1,8-10H2,2H3
InChIKeyRSUBJQUYGVNJTO-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine
CID 115698242
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 115894123
N-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide
CID 115894064
2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
CID 54593024
1-[3-(difluoromethoxy)phenyl]-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894084
3-methylsulfanyl-N-(2,2,2-trifluoro-1-phenylethyl)butan-1-amine
CID 113493950
2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-1-phenylethanamine
CID 61227088
7-methyl-N-(2,2,2-trifluoro-1-phenylethyl)octan-1-amine
CID 107814952
1-(4-fluorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 113258069
N-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide
CID 115750835
N-(2,2,2-trifluoro-1-phenylethyl)prop-2-en-1-amine
CID 62046108
4-methoxy-2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]butan-2-ol
CID 106254567

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine (CID 114467427) is 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine is C=C(C)COCCNC(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine?
The InChIKey is RSUBJQUYGVNJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-11(2)10-19-9-8-18-13(14(15,16)17)12-6-4-3-5-7-12/h3-7,13,18H,1,8-10H2,2H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine?
2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine has a molecular weight of 273.30 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine is sourced from PubChem (CID 114467427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).