2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol

C13H22N2O3 — CID 115120475

IUPAC2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol
SMILESCOc1cc(C)c(N(C)CC(N)CO)c(OC)c1
InChIInChI=1S/C13H22N2O3/c1-9-5-11(17-3)6-12(18-4)13(9)15(2)7-10(14)8-16/h5-6,10,16H,7-8,14H2,1-4H3
InChIKeyPBBQEAGJURZYEY-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.77
Rot. Bonds6

About 2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol

2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol (PubChem CID 115120475) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol
PubChem CID115120475
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol
SMILESCOc1cc(C)c(N(C)CC(N)CO)c(OC)c1
InChIInChI=1S/C13H22N2O3/c1-9-5-11(17-3)6-12(18-4)13(9)15(2)7-10(14)8-16/h5-6,10,16H,7-8,14H2,1-4H3
InChIKeyPBBQEAGJURZYEY-UHFFFAOYSA-N
XLogP0.77
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol
CID 115120488
2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol
CID 115120748
3-N-methyl-3-N-(2,4,6-trimethoxyphenyl)propane-1,2,3-triamine
CID 115119574
2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline
CID 115258433
2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol
CID 115120401
1-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
CID 115203758
1-(2,4-dimethoxy-N,6-dimethylanilino)-2-methylpropan-2-ol
CID 115136932
2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol
CID 115120374
2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol
CID 115120337
2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 170891817
2-N-(2,4-dimethoxy-6-methylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138077
2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol
CID 115120381

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol?
The IUPAC name of 2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol (CID 115120475) is 2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol?
The canonical SMILES for 2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol is COc1cc(C)c(N(C)CC(N)CO)c(OC)c1.
What is the InChIKey of 2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol?
The InChIKey is PBBQEAGJURZYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9-5-11(17-3)6-12(18-4)13(9)15(2)7-10(14)8-16/h5-6,10,16H,7-8,14H2,1-4H3.
What are the key properties of 2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol?
2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol is sourced from PubChem (CID 115120475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).