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

C14H23NO2 — CID 60899958

IUPAC1-(2,5-dimethylanilino)-3-propan-2-yloxypropan-2-ol
SMILESCc1ccc(C)c(NCC(O)COC(C)C)c1
InChIInChI=1S/C14H23NO2/c1-10(2)17-9-13(16)8-15-14-7-11(3)5-6-12(14)4/h5-7,10,13,15-16H,8-9H2,1-4H3
InChIKeyRYDLEBHIUIVUOI-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.50
Rot. Bonds6

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

1-(2,5-dimethylanilino)-3-propan-2-yloxypropan-2-ol (PubChem CID 60899958) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(2,5-dimethylanilino)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylanilino)-3-propan-2-yloxypropan-2-ol
PubChem CID60899958
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(2,5-dimethylanilino)-3-propan-2-yloxypropan-2-ol
SMILESCc1ccc(C)c(NCC(O)COC(C)C)c1
InChIInChI=1S/C14H23NO2/c1-10(2)17-9-13(16)8-15-14-7-11(3)5-6-12(14)4/h5-7,10,13,15-16H,8-9H2,1-4H3
InChIKeyRYDLEBHIUIVUOI-UHFFFAOYSA-N
XLogP2.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989282
1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60904275
1-(2,5-dimethylphenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
CID 60670816
1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol
CID 60902154
1-(4-bromo-2-fluoroanilino)-3-propan-2-yloxypropan-2-ol
CID 60897126
1-(2-chloro-5-iodoanilino)-3-propan-2-yloxypropan-2-ol
CID 113442189
1-anilino-3-propan-2-yloxypropan-2-ol
CID 2880916
1-[(1,3-dimethylpyrazol-4-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 102805094
1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60897291
1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol
CID 60902275
1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898998
1-(2-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 60898402

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylanilino)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(2,5-dimethylanilino)-3-propan-2-yloxypropan-2-ol (CID 60899958) is 1-(2,5-dimethylanilino)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylanilino)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(2,5-dimethylanilino)-3-propan-2-yloxypropan-2-ol is Cc1ccc(C)c(NCC(O)COC(C)C)c1.
What is the InChIKey of 1-(2,5-dimethylanilino)-3-propan-2-yloxypropan-2-ol?
The InChIKey is RYDLEBHIUIVUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)17-9-13(16)8-15-14-7-11(3)5-6-12(14)4/h5-7,10,13,15-16H,8-9H2,1-4H3.
What are the key properties of 1-(2,5-dimethylanilino)-3-propan-2-yloxypropan-2-ol?
1-(2,5-dimethylanilino)-3-propan-2-yloxypropan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylanilino)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 60899958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).