2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-(2-methoxyethyl)anilino]ethanol

C14H24N2O3 — CID 104861658

IUPAC2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-(2-methoxyethyl)anilino]ethanol
SMILESCOCCN(CCO)c1cccc(OC)c1[C@@H](C)N
InChIInChI=1S/C14H24N2O3/c1-11(15)14-12(5-4-6-13(14)19-3)16(7-9-17)8-10-18-2/h4-6,11,17H,7-10,15H2,1-3H3/t11-/m1/s1
InChIKeyZUVCMXQCELXXRU-LLVKDONJSA-N
MW268.36 g/mol
LogP1.16
Rot. Bonds8

About 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-(2-methoxyethyl)anilino]ethanol

2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-(2-methoxyethyl)anilino]ethanol (PubChem CID 104861658) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-(2-methoxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-(2-methoxyethyl)anilino]ethanol
PubChem CID104861658
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-(2-methoxyethyl)anilino]ethanol
SMILESCOCCN(CCO)c1cccc(OC)c1[C@@H](C)N
InChIInChI=1S/C14H24N2O3/c1-11(15)14-12(5-4-6-13(14)19-3)16(7-9-17)8-10-18-2/h4-6,11,17H,7-10,15H2,1-3H3/t11-/m1/s1
InChIKeyZUVCMXQCELXXRU-LLVKDONJSA-N
XLogP1.16
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol
CID 113388978
3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
CID 114230283
5-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]pentan-1-ol
CID 107200460
2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline
CID 113388926
2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
CID 104552391
1-[2-methoxy-6-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 103339602
3-[2-(1-aminoethyl)-3-fluoro-N-(2-methoxyethyl)anilino]propanenitrile
CID 63285543
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 54989680
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
2-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline
CID 113388975
2-[1-(ethylamino)ethyl]-3-methoxy-N-(2-methoxyethyl)-N-prop-2-enylaniline
CID 103339209

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-(2-methoxyethyl)anilino]ethanol?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-(2-methoxyethyl)anilino]ethanol (CID 104861658) is 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-(2-methoxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-(2-methoxyethyl)anilino]ethanol?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-(2-methoxyethyl)anilino]ethanol is COCCN(CCO)c1cccc(OC)c1[C@@H](C)N.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-(2-methoxyethyl)anilino]ethanol?
The InChIKey is ZUVCMXQCELXXRU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11(15)14-12(5-4-6-13(14)19-3)16(7-9-17)8-10-18-2/h4-6,11,17H,7-10,15H2,1-3H3/t11-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-(2-methoxyethyl)anilino]ethanol?
2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-(2-methoxyethyl)anilino]ethanol has a molecular weight of 268.36 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-(2-methoxyethyl)anilino]ethanol is sourced from PubChem (CID 104861658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).