3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol

C13H22N2O2 — CID 114230283

IUPAC3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
SMILESCOc1cccc(N(C)CCCO)c1[C@@H](C)N
InChIInChI=1S/C13H22N2O2/c1-10(14)13-11(15(2)8-5-9-16)6-4-7-12(13)17-3/h4,6-7,10,16H,5,8-9,14H2,1-3H3/t10-/m1/s1
InChIKeyAQXWFDIKHRHCDD-SNVBAGLBSA-N
MW238.33 g/mol
LogP1.53
Rot. Bonds6

About 3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol

3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol (PubChem CID 114230283) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
PubChem CID114230283
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
SMILESCOc1cccc(N(C)CCCO)c1[C@@H](C)N
InChIInChI=1S/C13H22N2O2/c1-10(14)13-11(15(2)8-5-9-16)6-4-7-12(13)17-3/h4,6-7,10,16H,5,8-9,14H2,1-3H3/t10-/m1/s1
InChIKeyAQXWFDIKHRHCDD-SNVBAGLBSA-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

5-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]pentan-1-ol
CID 107200460
2-[(1S)-1-aminoethyl]-3-methoxy-N-methyl-N-(2-methylsulfanylethyl)aniline
CID 113389035
2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol
CID 113388978
2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
CID 104552391
2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-(2-methoxyethyl)anilino]ethanol
CID 104861658
2-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline
CID 113388975
2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline
CID 113388926
3-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]butanenitrile
CID 113389009
2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]cyclohexan-1-ol
CID 102632563
2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline
CID 43295036
1-[2-[3-hydroxypropyl(propan-2-yl)amino]-6-methoxyphenyl]ethanone
CID 113388856
N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694909

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol?
The IUPAC name of 3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol (CID 114230283) is 3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol.
What is the SMILES notation for 3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol?
The canonical SMILES for 3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol is COc1cccc(N(C)CCCO)c1[C@@H](C)N.
What is the InChIKey of 3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol?
The InChIKey is AQXWFDIKHRHCDD-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(14)13-11(15(2)8-5-9-16)6-4-7-12(13)17-3/h4,6-7,10,16H,5,8-9,14H2,1-3H3/t10-/m1/s1.
What are the key properties of 3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol?
3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol 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 3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol is sourced from PubChem (CID 114230283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).