2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol

C13H22N2O2 — CID 113388978

IUPAC2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol
SMILESCCN(CCO)c1cccc(OC)c1C(C)N
InChIInChI=1S/C13H22N2O2/c1-4-15(8-9-16)11-6-5-7-12(17-3)13(11)10(2)14/h5-7,10,16H,4,8-9,14H2,1-3H3
InChIKeyISKLMWSCKVILNE-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.53
Rot. Bonds6

About 2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol

2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol (PubChem CID 113388978) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol
PubChem CID113388978
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol
SMILESCCN(CCO)c1cccc(OC)c1C(C)N
InChIInChI=1S/C13H22N2O2/c1-4-15(8-9-16)11-6-5-7-12(17-3)13(11)10(2)14/h5-7,10,16H,4,8-9,14H2,1-3H3
InChIKeyISKLMWSCKVILNE-UHFFFAOYSA-N
XLogP1.53
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-(2-methoxyethyl)anilino]ethanol
CID 104861658
3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
CID 114230283
2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
CID 104552391
5-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]pentan-1-ol
CID 107200460
2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol
CID 78934890
2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline
CID 113388926
2-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline
CID 113388975
(1R)-1-[2-[ethyl(2-hydroxyethyl)amino]-6-fluorophenyl]ethanol
CID 63371083
2-[(1S)-1-aminoethyl]-3-methoxy-N-methyl-N-(2-methylsulfanylethyl)aniline
CID 113389035
2-[3-methoxy-2-[1-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107480617
3-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]butanenitrile
CID 113389009
2-[2-[(1S)-1-aminoethyl]-N-butyl-3-fluoroanilino]ethanol
CID 78934634

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol?
The IUPAC name of 2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol (CID 113388978) is 2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol.
What is the SMILES notation for 2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol?
The canonical SMILES for 2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol is CCN(CCO)c1cccc(OC)c1C(C)N.
What is the InChIKey of 2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol?
The InChIKey is ISKLMWSCKVILNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-15(8-9-16)11-6-5-7-12(17-3)13(11)10(2)14/h5-7,10,16H,4,8-9,14H2,1-3H3.
What are the key properties of 2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol?
2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol has a molecular weight of 238.33 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol is sourced from PubChem (CID 113388978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).