3-(2,4-dimethylanilino)-2-methylpropan-1-ol

C12H19NO — CID 115871838

IUPAC3-(2,4-dimethylanilino)-2-methylpropan-1-ol
SMILESCc1ccc(NCC(C)CO)c(C)c1
InChIInChI=1S/C12H19NO/c1-9-4-5-12(11(3)6-9)13-7-10(2)8-14/h4-6,10,13-14H,7-8H2,1-3H3
InChIKeyGZXIANQSDYPGPM-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.34
Rot. Bonds4

About 3-(2,4-dimethylanilino)-2-methylpropan-1-ol

3-(2,4-dimethylanilino)-2-methylpropan-1-ol (PubChem CID 115871838) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(2,4-dimethylanilino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2,4-dimethylanilino)-2-methylpropan-1-ol
PubChem CID115871838
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-(2,4-dimethylanilino)-2-methylpropan-1-ol
SMILESCc1ccc(NCC(C)CO)c(C)c1
InChIInChI=1S/C12H19NO/c1-9-4-5-12(11(3)6-9)13-7-10(2)8-14/h4-6,10,13-14H,7-8H2,1-3H3
InChIKeyGZXIANQSDYPGPM-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R,4R)-5-(2,4-dimethylanilino)pentane-1,2,3,4-tetrol
CID 70539153
2-methyl-3-(4-methyl-2-nitroanilino)propan-1-ol
CID 65036562
2-(2,4-dimethylanilino)propan-1-ol
CID 130502576
2-(2,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60903681
3-(2,5-difluoro-4-methylanilino)-2-methylpropan-1-ol
CID 103585509
3-[(3-hydroxy-2-methylpropyl)amino]-4-methylbenzonitrile
CID 115872017
3-(2-tert-butylanilino)-2-methylpropan-1-ol
CID 115871945
1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890301
3-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-1-ol
CID 103590479
4-chloro-2-methyl-N-(2-methylbutyl)aniline
CID 43093539
1-(2,4-dimethylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60902815
3-(3-iodo-4-methylanilino)-2-methylpropan-1-ol
CID 130498102

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylanilino)-2-methylpropan-1-ol?
The IUPAC name of 3-(2,4-dimethylanilino)-2-methylpropan-1-ol (CID 115871838) is 3-(2,4-dimethylanilino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2,4-dimethylanilino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(2,4-dimethylanilino)-2-methylpropan-1-ol is Cc1ccc(NCC(C)CO)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylanilino)-2-methylpropan-1-ol?
The InChIKey is GZXIANQSDYPGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-4-5-12(11(3)6-9)13-7-10(2)8-14/h4-6,10,13-14H,7-8H2,1-3H3.
What are the key properties of 3-(2,4-dimethylanilino)-2-methylpropan-1-ol?
3-(2,4-dimethylanilino)-2-methylpropan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylanilino)-2-methylpropan-1-ol is sourced from PubChem (CID 115871838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).