1-(3,5-dimethylanilino)propan-2-ol

C11H17NO — CID 60886004

IUPAC1-(3,5-dimethylanilino)propan-2-ol
SMILESCc1cc(C)cc(NCC(C)O)c1
InChIInChI=1S/C11H17NO/c1-8-4-9(2)6-11(5-8)12-7-10(3)13/h4-6,10,12-13H,7H2,1-3H3
InChIKeyLFYXGMGMPHGQLL-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.10
Rot. Bonds3

About 1-(3,5-dimethylanilino)propan-2-ol

1-(3,5-dimethylanilino)propan-2-ol (PubChem CID 60886004) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(3,5-dimethylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylanilino)propan-2-ol
PubChem CID60886004
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(3,5-dimethylanilino)propan-2-ol
SMILESCc1cc(C)cc(NCC(C)O)c1
InChIInChI=1S/C11H17NO/c1-8-4-9(2)6-11(5-8)12-7-10(3)13/h4-6,10,12-13H,7H2,1-3H3
InChIKeyLFYXGMGMPHGQLL-UHFFFAOYSA-N
XLogP2.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(3-bromo-5-methylanilino)propan-2-ol
CID 107583258
(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol
CID 106932274
3-(2-hydroxypropylamino)-5-methylbenzonitrile
CID 130631614
(2S)-1-(3-methylanilino)propan-2-ol
CID 39236026
(2R)-1-(3-methylanilino)propan-2-ol
CID 39236024
(2S)-1-(4-methylanilino)propan-2-ol
CID 39236030
1-amino-3-(3,5-dimethylanilino)propan-2-ol
CID 82040092
1-(3,5-difluoroanilino)propan-2-ol
CID 60886197
3-fluoro-5-methyl-N-(2-methylpropyl)aniline
CID 75356152
(2S)-1-(4-bromoanilino)propan-2-ol
CID 39247732
4-(3-amino-5-methylanilino)butan-2-ol
CID 112647909
2-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)ethanol
CID 82123660

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylanilino)propan-2-ol?
The IUPAC name of 1-(3,5-dimethylanilino)propan-2-ol (CID 60886004) is 1-(3,5-dimethylanilino)propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylanilino)propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylanilino)propan-2-ol is Cc1cc(C)cc(NCC(C)O)c1.
What is the InChIKey of 1-(3,5-dimethylanilino)propan-2-ol?
The InChIKey is LFYXGMGMPHGQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-4-9(2)6-11(5-8)12-7-10(3)13/h4-6,10,12-13H,7H2,1-3H3.
What are the key properties of 1-(3,5-dimethylanilino)propan-2-ol?
1-(3,5-dimethylanilino)propan-2-ol has a molecular weight of 179.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylanilino)propan-2-ol is sourced from PubChem (CID 60886004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).