1-(2-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol

C12H20N2O3 — CID 113392602

IUPAC1-(2-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1cccc(OC)c1N
InChIInChI=1S/C12H20N2O3/c1-14(7-9(15)8-16-2)10-5-4-6-11(17-3)12(10)13/h4-6,9,15H,7-8,13H2,1-3H3
InChIKeyGSJFQBPQPMBVIX-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.72
Rot. Bonds6

About 1-(2-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol

1-(2-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol (PubChem CID 113392602) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(2-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol
PubChem CID113392602
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(2-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1cccc(OC)c1N
InChIInChI=1S/C12H20N2O3/c1-14(7-9(15)8-16-2)10-5-4-6-11(17-3)12(10)13/h4-6,9,15H,7-8,13H2,1-3H3
InChIKeyGSJFQBPQPMBVIX-UHFFFAOYSA-N
XLogP0.72
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4,5-dimethoxy-N-methylanilino)-3-methoxypropan-2-ol
CID 83001363
1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol
CID 114281243
1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol
CID 63676060
2-(2-amino-3-methoxy-N-methylanilino)propan-1-ol
CID 104551156
1-methoxy-3-[N-methyl-2-[(propan-2-ylamino)methyl]anilino]propan-2-ol
CID 54994011
1-[2-[1-(ethylamino)ethyl]-N-methylanilino]-3-methoxypropan-2-ol
CID 54994046
1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol
CID 3725441
1-[2-[1-(ethylamino)propyl]-N-methylanilino]-3-methoxypropan-2-ol
CID 115995040
1-(2-amino-3-methoxyphenyl)butan-1-ol
CID 105449196
1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol
CID 63372729
1-(2-amino-4-bromo-5-fluoro-N-methylanilino)-3-methoxypropan-2-ol
CID 66109747
1-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 54993621

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol?
The IUPAC name of 1-(2-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol (CID 113392602) is 1-(2-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(2-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(2-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol is COCC(O)CN(C)c1cccc(OC)c1N.
What is the InChIKey of 1-(2-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol?
The InChIKey is GSJFQBPQPMBVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-14(7-9(15)8-16-2)10-5-4-6-11(17-3)12(10)13/h4-6,9,15H,7-8,13H2,1-3H3.
What are the key properties of 1-(2-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol?
1-(2-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol has a molecular weight of 240.30 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol is sourced from PubChem (CID 113392602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).