1-(2-methoxy-5-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine

C12H16F3NO2 — CID 82712609

IUPAC1-(2-methoxy-5-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCOc1ccc(C)cc1C(C)NOCC(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-8-4-5-11(17-3)10(6-8)9(2)16-18-7-12(13,14)15/h4-6,9,16H,7H2,1-3H3
InChIKeyKDPZLRLHKJSMKP-UHFFFAOYSA-N
MW263.26 g/mol
LogP3.15
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine

1-(2-methoxy-5-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 82712609) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID82712609
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCOc1ccc(C)cc1C(C)NOCC(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-8-4-5-11(17-3)10(6-8)9(2)16-18-7-12(13,14)15/h4-6,9,16H,7H2,1-3H3
InChIKeyKDPZLRLHKJSMKP-UHFFFAOYSA-N
XLogP3.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 53.15
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

1-(2,5-dimethoxyphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712048
1-(4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82710680
1,1,1-trifluoro-3-[1-(2-methoxy-5-methylphenyl)ethylamino]propan-2-ol
CID 103778660
2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 62490240
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 9048385
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178128
1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine
CID 82709740
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 113262469
1-(2-methoxy-5-methylphenyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60891376
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 9262445
N-[(2,4-dimethylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225415
N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43177527

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine (CID 82712609) is 1-(2-methoxy-5-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine is COc1ccc(C)cc1C(C)NOCC(F)(F)F.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is KDPZLRLHKJSMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-8-4-5-11(17-3)10(6-8)9(2)16-18-7-12(13,14)15/h4-6,9,16H,7H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
1-(2-methoxy-5-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 263.26 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 82712609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).