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

C13H22N2O2 — CID 104552391

IUPAC2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
SMILESCOc1cccc(N(C)C(C)CO)c1[C@@H](C)N
InChIInChI=1S/C13H22N2O2/c1-9(8-16)15(3)11-6-5-7-12(17-4)13(11)10(2)14/h5-7,9-10,16H,8,14H2,1-4H3/t9?,10-/m1/s1
InChIKeyAEWNTRQCANXNKB-QVDQXJPCSA-N
MW238.33 g/mol
LogP1.53
Rot. Bonds5

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

2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol (PubChem CID 104552391) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
PubChem CID104552391
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
SMILESCOc1cccc(N(C)C(C)CO)c1[C@@H](C)N
InChIInChI=1S/C13H22N2O2/c1-9(8-16)15(3)11-6-5-7-12(17-4)13(11)10(2)14/h5-7,9-10,16H,8,14H2,1-4H3/t9?,10-/m1/s1
InChIKeyAEWNTRQCANXNKB-QVDQXJPCSA-N
XLogP1.53
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline
CID 113388975
2-(2-amino-3-methoxy-N-methylanilino)propan-1-ol
CID 104551156
3-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]butanenitrile
CID 113389009
3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
CID 114230283
2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol
CID 113388978
5-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]pentan-1-ol
CID 107200460
2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-(2-methoxyethyl)anilino]ethanol
CID 104861658
2-[(1S)-1-aminoethyl]-3-methoxy-N-methyl-N-(2-methylsulfanylethyl)aniline
CID 113389035
2-[(1S)-1-aminoethyl]-3-methoxy-N,N-bis(prop-2-enyl)aniline
CID 113388926
2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]cyclohexan-1-ol
CID 102632563
2-[(1S)-1-aminoethyl]-3-fluoro-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 55188889
2-(1-amino-2-hydroxyethyl)-3-methoxyphenol
CID 77129655

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol (CID 104552391) is 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol is COc1cccc(N(C)C(C)CO)c1[C@@H](C)N.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol?
The InChIKey is AEWNTRQCANXNKB-QVDQXJPCSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(8-16)15(3)11-6-5-7-12(17-4)13(11)10(2)14/h5-7,9-10,16H,8,14H2,1-4H3/t9?,10-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol?
2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol is sourced from PubChem (CID 104552391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).