2-[3-methoxy-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)anilino]ethanol

C14H21F3N2O2 — CID 107480617

IUPAC2-[3-methoxy-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)anilino]ethanol
SMILESCNC(C)c1c(OC)cccc1N(CCO)CC(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c1-10(18-2)13-11(5-4-6-12(13)21-3)19(7-8-20)9-14(15,16)17/h4-6,10,18,20H,7-9H2,1-3H3
InChIKeyOFSQFCCKVGYUOX-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.34
Rot. Bonds7

About 2-[3-methoxy-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)anilino]ethanol

2-[3-methoxy-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)anilino]ethanol (PubChem CID 107480617) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-[3-methoxy-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[3-methoxy-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)anilino]ethanol
PubChem CID107480617
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name2-[3-methoxy-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)anilino]ethanol
SMILESCNC(C)c1c(OC)cccc1N(CCO)CC(F)(F)F
InChIInChI=1S/C14H21F3N2O2/c1-10(18-2)13-11(5-4-6-12(13)21-3)19(7-8-20)9-14(15,16)17/h4-6,10,18,20H,7-9H2,1-3H3
InChIKeyOFSQFCCKVGYUOX-UHFFFAOYSA-N
XLogP2.34
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol
CID 113388978
2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-(2-methoxyethyl)anilino]ethanol
CID 104861658
2-[[4-[1-(methylamino)ethyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107480595
2-[2-amino-5-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478362
1-[2-[2-(dimethylamino)ethylsulfanyl]-6-methoxyphenyl]-N-methylethanamine
CID 113389150
1-[2-methoxy-6-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 113389088
5-bromo-2-[1-(methylamino)ethyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 82968783
N-[2-[3-methoxy-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 102740278
3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
CID 114230283
1-(2,6-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 116810333
2-[1-(ethylamino)ethyl]-3-methoxy-N-(2-methoxyethyl)-N-prop-2-enylaniline
CID 103339209
2-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]sulfanylacetamide
CID 114231324

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The IUPAC name of 2-[3-methoxy-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)anilino]ethanol (CID 107480617) is 2-[3-methoxy-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)anilino]ethanol.
What is the SMILES notation for 2-[3-methoxy-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The canonical SMILES for 2-[3-methoxy-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)anilino]ethanol is CNC(C)c1c(OC)cccc1N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[3-methoxy-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)anilino]ethanol?
The InChIKey is OFSQFCCKVGYUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-10(18-2)13-11(5-4-6-12(13)21-3)19(7-8-20)9-14(15,16)17/h4-6,10,18,20H,7-9H2,1-3H3.
What are the key properties of 2-[3-methoxy-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)anilino]ethanol?
2-[3-methoxy-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)anilino]ethanol has a molecular weight of 306.33 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)anilino]ethanol is sourced from PubChem (CID 107480617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).