1-amino-3-(2,3,4-trimethylanilino)propan-2-ol

C12H20N2O — CID 115121186

IUPAC1-amino-3-(2,3,4-trimethylanilino)propan-2-ol
SMILESCc1ccc(NCC(O)CN)c(C)c1C
InChIInChI=1S/C12H20N2O/c1-8-4-5-12(10(3)9(8)2)14-7-11(15)6-13/h4-5,11,14-15H,6-7,13H2,1-3H3
InChIKeyWBVYLIQRWUSICB-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.34
Rot. Bonds4

About 1-amino-3-(2,3,4-trimethylanilino)propan-2-ol

1-amino-3-(2,3,4-trimethylanilino)propan-2-ol (PubChem CID 115121186) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-amino-3-(2,3,4-trimethylanilino)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2,3,4-trimethylanilino)propan-2-ol
PubChem CID115121186
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-amino-3-(2,3,4-trimethylanilino)propan-2-ol
SMILESCc1ccc(NCC(O)CN)c(C)c1C
InChIInChI=1S/C12H20N2O/c1-8-4-5-12(10(3)9(8)2)14-7-11(15)6-13/h4-5,11,14-15H,6-7,13H2,1-3H3
InChIKeyWBVYLIQRWUSICB-UHFFFAOYSA-N
XLogP1.34
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[(2,3,4-trimethylphenyl)methylamino]propan-2-ol
CID 115121441
1-N-(2,3,4-trimethylphenyl)propane-1,2-diamine
CID 115196344
1-amino-3-(2-methyl-5-propan-2-ylanilino)propan-2-ol
CID 115121142
methyl 4-hydroxy-5-(2,3,4-trimethylanilino)pentanoate
CID 115123520
N-methyl-N'-(2,3,4-trimethylphenyl)methanediamine
CID 115226596
N-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide
CID 168638082
1-amino-3-(4-bromo-3-methylanilino)propan-2-ol
CID 82044855
1-amino-3-(3,5-dimethylanilino)propan-2-ol
CID 82040092
N-(methoxymethyl)-2,3,4-trimethylaniline
CID 115258290
2-chloro-3-[(3-chloro-2-hydroxypropyl)amino]-6-methylphenol
CID 168640691
2-(2,3,4-trimethylanilino)acetaldehyde
CID 115222704
1-[(3-amino-2-hydroxypropyl)amino]-4-(2,3-dihydroxypropylamino)anthracene-9,10-dione
CID 135182838

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,3,4-trimethylanilino)propan-2-ol?
The IUPAC name of 1-amino-3-(2,3,4-trimethylanilino)propan-2-ol (CID 115121186) is 1-amino-3-(2,3,4-trimethylanilino)propan-2-ol.
What is the SMILES notation for 1-amino-3-(2,3,4-trimethylanilino)propan-2-ol?
The canonical SMILES for 1-amino-3-(2,3,4-trimethylanilino)propan-2-ol is Cc1ccc(NCC(O)CN)c(C)c1C.
What is the InChIKey of 1-amino-3-(2,3,4-trimethylanilino)propan-2-ol?
The InChIKey is WBVYLIQRWUSICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8-4-5-12(10(3)9(8)2)14-7-11(15)6-13/h4-5,11,14-15H,6-7,13H2,1-3H3.
What are the key properties of 1-amino-3-(2,3,4-trimethylanilino)propan-2-ol?
1-amino-3-(2,3,4-trimethylanilino)propan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,3,4-trimethylanilino)propan-2-ol is sourced from PubChem (CID 115121186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).