1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol

C15H25NO2 — CID 55061574

IUPAC1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol
SMILESCc1cccc(C)c1NCC(O)COCC(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)9-18-10-14(17)8-16-15-12(3)6-5-7-13(15)4/h5-7,11,14,16-17H,8-10H2,1-4H3
InChIKeyFLLXFTUAVZUTIN-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.75
Rot. Bonds7

About 1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol

1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol (PubChem CID 55061574) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol
PubChem CID55061574
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol
SMILESCc1cccc(C)c1NCC(O)COCC(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)9-18-10-14(17)8-16-15-12(3)6-5-7-13(15)4/h5-7,11,14,16-17H,8-10H2,1-4H3
InChIKeyFLLXFTUAVZUTIN-UHFFFAOYSA-N
XLogP2.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81374323
1-(2,6-dimethylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62332086
1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 79101367
1-(2,6-dimethylanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 62332087
1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 62332238
1-(3-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 55200784
5-(2,6-dimethylanilino)-4-hydroxypentan-2-one
CID 175538746
1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 60898402
1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898806
1-(2,4-dibromoanilino)-3-(2-methylpropoxy)propan-2-ol
CID 54953370
1-[2-(difluoromethylsulfanyl)anilino]-3-(2-methylpropoxy)propan-2-ol
CID 60898445
1-(2-chloro-5-iodoanilino)-3-(2-methylpropoxy)propan-2-ol
CID 114259977

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol (CID 55061574) is 1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol is Cc1cccc(C)c1NCC(O)COCC(C)C.
What is the InChIKey of 1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is FLLXFTUAVZUTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)9-18-10-14(17)8-16-15-12(3)6-5-7-13(15)4/h5-7,11,14,16-17H,8-10H2,1-4H3.
What are the key properties of 1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol?
1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 55061574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).