1-(N,2,5-trimethylanilino)propan-2-ol

C12H19NO — CID 82112048

IUPAC1-(N,2,5-trimethylanilino)propan-2-ol
SMILESCc1ccc(C)c(N(C)CC(C)O)c1
InChIInChI=1S/C12H19NO/c1-9-5-6-10(2)12(7-9)13(4)8-11(3)14/h5-7,11,14H,8H2,1-4H3
InChIKeyHNPQLSHPUJEAAW-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.12
Rot. Bonds3

About 1-(N,2,5-trimethylanilino)propan-2-ol

1-(N,2,5-trimethylanilino)propan-2-ol (PubChem CID 82112048) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(N,2,5-trimethylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(N,2,5-trimethylanilino)propan-2-ol
PubChem CID82112048
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(N,2,5-trimethylanilino)propan-2-ol
SMILESCc1ccc(C)c(N(C)CC(C)O)c1
InChIInChI=1S/C12H19NO/c1-9-5-6-10(2)12(7-9)13(4)8-11(3)14/h5-7,11,14H,8H2,1-4H3
InChIKeyHNPQLSHPUJEAAW-UHFFFAOYSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(N,2,5-trimethylanilino)methyl]butanoate
CID 115253052
1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol
CID 62333578
2-[2-(2-hydroxy-N,5-dimethylanilino)ethyl-methylamino]-4-methylphenol
CID 102264381
1-bromo-3-(N,2,4-trimethylanilino)propan-2-ol
CID 112561545
N-benzyl-N,2,5-trimethylaniline
CID 15439716
1-(N,2,4-trimethylanilino)pentan-2-ol
CID 62041498
4-methyl-2-[methyl(2-methylpropyl)amino]benzoic acid
CID 62701484
3-(5-bromo-N,2-dimethylanilino)propane-1,2-diol
CID 115122058
(E)-4-(N,2,5-trimethylanilino)but-2-enoic acid
CID 115236953
N-(2,5-dimethylphenyl)-N-ethyl-4-methylpentanamide
CID 78853870
2-(2,5-dimethyl-N-propan-2-ylanilino)acetic acid
CID 119958661
N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylaniline
CID 115213895

Frequently Asked Questions

What is the IUPAC name of 1-(N,2,5-trimethylanilino)propan-2-ol?
The IUPAC name of 1-(N,2,5-trimethylanilino)propan-2-ol (CID 82112048) is 1-(N,2,5-trimethylanilino)propan-2-ol.
What is the SMILES notation for 1-(N,2,5-trimethylanilino)propan-2-ol?
The canonical SMILES for 1-(N,2,5-trimethylanilino)propan-2-ol is Cc1ccc(C)c(N(C)CC(C)O)c1.
What is the InChIKey of 1-(N,2,5-trimethylanilino)propan-2-ol?
The InChIKey is HNPQLSHPUJEAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-5-6-10(2)12(7-9)13(4)8-11(3)14/h5-7,11,14H,8H2,1-4H3.
What are the key properties of 1-(N,2,5-trimethylanilino)propan-2-ol?
1-(N,2,5-trimethylanilino)propan-2-ol has a molecular weight of 193.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N,2,5-trimethylanilino)propan-2-ol is sourced from PubChem (CID 82112048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).