1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol

C12H20N2O3 — CID 63676060

IUPAC1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1ccc(N)c(OC)c1
InChIInChI=1S/C12H20N2O3/c1-14(7-10(15)8-16-2)9-4-5-11(13)12(6-9)17-3/h4-6,10,15H,7-8,13H2,1-3H3
InChIKeyVOGQYZZNMCPJJZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.72
Rot. Bonds6

About 1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol

1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol (PubChem CID 63676060) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol
PubChem CID63676060
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1ccc(N)c(OC)c1
InChIInChI=1S/C12H20N2O3/c1-14(7-10(15)8-16-2)9-4-5-11(13)12(6-9)17-3/h4-6,10,15H,7-8,13H2,1-3H3
InChIKeyVOGQYZZNMCPJJZ-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-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol
CID 3725441
1-(2-amino-4,5-dimethoxy-N-methylanilino)-3-methoxypropan-2-ol
CID 83001363
1-(2-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol
CID 113392602
4-amino-1-(3,4-dimethoxy-N-methylanilino)butan-2-ol
CID 117039074
1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol
CID 114281243
1-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 54993621
2-chloro-4-[(2-hydroxy-3-methoxypropyl)-methylamino]benzenecarbothioamide
CID 62948804
4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbenzoic acid
CID 113400011
1-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 83121930
4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbenzenecarboximidamide
CID 81279443
2-chloro-4-[(2-hydroxy-3-methoxypropyl)-methylamino]benzonitrile
CID 55152425
2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide
CID 54994939

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol?
The IUPAC name of 1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol (CID 63676060) is 1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol is COCC(O)CN(C)c1ccc(N)c(OC)c1.
What is the InChIKey of 1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol?
The InChIKey is VOGQYZZNMCPJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-14(7-10(15)8-16-2)9-4-5-11(13)12(6-9)17-3/h4-6,10,15H,7-8,13H2,1-3H3.
What are the key properties of 1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol?
1-(4-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-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol is sourced from PubChem (CID 63676060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).