1-(2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)propan-2-amine

C12H16F3NO2 — CID 82710985

IUPAC1-(2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCOc1ccccc1CC(C)NOCC(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-9(16-18-8-12(13,14)15)7-10-5-3-4-6-11(10)17-2/h3-6,9,16H,7-8H2,1-2H3
InChIKeyPCLVOGSAMCHDND-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.71
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)propan-2-amine

1-(2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 82710985) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID82710985
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name1-(2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCOc1ccccc1CC(C)NOCC(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-9(16-18-8-12(13,14)15)7-10-5-3-4-6-11(10)17-2/h3-6,9,16H,7-8H2,1-2H3
InChIKeyPCLVOGSAMCHDND-UHFFFAOYSA-N
XLogP2.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 110174086
[(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium
CID 7432380
(2R)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-2-ol;4,4,4-trifluoro-1-(2-methoxyphenyl)butan-2-ol
CID 158657667
1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 115721693
2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 18627851
N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine
CID 63452997
2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide
CID 79792524
6-fluoro-N-[1-(2-methoxyphenyl)propan-2-yl]pyridin-2-amine
CID 115591110
N-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide
CID 47070223
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine
CID 43757590

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)propan-2-amine (CID 82710985) is 1-(2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)propan-2-amine is COc1ccccc1CC(C)NOCC(F)(F)F.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is PCLVOGSAMCHDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-9(16-18-8-12(13,14)15)7-10-5-3-4-6-11(10)17-2/h3-6,9,16H,7-8H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)propan-2-amine?
1-(2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 263.26 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 82710985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).