1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol

C13H22N2O2 — CID 114281243

IUPAC1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1cc(C)c(C)cc1N
InChIInChI=1S/C13H22N2O2/c1-9-5-12(14)13(6-10(9)2)15(3)7-11(16)8-17-4/h5-6,11,16H,7-8,14H2,1-4H3
InChIKeyNCPJDNZVVLATEJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.33
Rot. Bonds5

About 1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol

1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol (PubChem CID 114281243) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol
PubChem CID114281243
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1cc(C)c(C)cc1N
InChIInChI=1S/C13H22N2O2/c1-9-5-12(14)13(6-10(9)2)15(3)7-11(16)8-17-4/h5-6,11,16H,7-8,14H2,1-4H3
InChIKeyNCPJDNZVVLATEJ-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-4-bromo-5-fluoro-N-methylanilino)-3-methoxypropan-2-ol
CID 66109747
ethyl 4-amino-3-[(2-hydroxy-3-methoxypropyl)-methylamino]benzoate
CID 82785489
1-(2-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol
CID 113392602
1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol
CID 63676060
1-(4-amino-2,6-difluoro-N-methylanilino)-3-methoxypropan-2-ol
CID 54993188
3-(2-methoxy-N,4,5-trimethylanilino)propane-1,2-diol
CID 115121985
1-[(3-amino-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol
CID 103361844
1-[N,2-dimethyl-4-[(propan-2-ylamino)methyl]anilino]-3-methoxypropan-2-ol
CID 62124541
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide
CID 55056725
1-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 54994894
1-[4-[(1R)-1-aminoethyl]-2-bromo-N-methylanilino]-3-methoxypropan-2-ol
CID 55188528

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol?
The IUPAC name of 1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol (CID 114281243) is 1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol is COCC(O)CN(C)c1cc(C)c(C)cc1N.
What is the InChIKey of 1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol?
The InChIKey is NCPJDNZVVLATEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9-5-12(14)13(6-10(9)2)15(3)7-11(16)8-17-4/h5-6,11,16H,7-8,14H2,1-4H3.
What are the key properties of 1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol?
1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol is sourced from PubChem (CID 114281243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).