1-(3-butan-2-yloxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C17H29NO3 — CID 62328410

IUPAC1-(3-butan-2-yloxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCCC(C)Oc1cccc(NCC(O)COC(C)(C)C)c1
InChIInChI=1S/C17H29NO3/c1-6-13(2)21-16-9-7-8-14(10-16)18-11-15(19)12-20-17(3,4)5/h7-10,13,15,18-19H,6,11-12H2,1-5H3
InChIKeyBNJQGUHWGDYBST-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.45
Rot. Bonds8

About 1-(3-butan-2-yloxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-(3-butan-2-yloxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 62328410) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(3-butan-2-yloxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-(3-butan-2-yloxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID62328410
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(3-butan-2-yloxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCCC(C)Oc1cccc(NCC(O)COC(C)(C)C)c1
InChIInChI=1S/C17H29NO3/c1-6-13(2)21-16-9-7-8-14(10-16)18-11-15(19)12-20-17(3,4)5/h7-10,13,15,18-19H,6,11-12H2,1-5H3
InChIKeyBNJQGUHWGDYBST-UHFFFAOYSA-N
XLogP3.45
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-butan-2-yloxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-butan-2-yloxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 62329267
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol
CID 114493050
3-butan-2-yloxy-N-[(2,6-dichlorophenyl)methyl]aniline
CID 63478157
2-(3-butan-2-yloxyanilino)acetic acid
CID 62328764
3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid
CID 79624884
2-[(3-butan-2-yloxyanilino)methyl]-6-chlorophenol
CID 115951671
3-butan-2-yloxy-N-(3,3,3-trifluoropropyl)aniline
CID 64554822
2-(3-butan-2-yloxyanilino)-N-methylacetamide
CID 54830374
N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide
CID 107529384
2-(3-butan-2-yloxyanilino)-N-(2-methylbutan-2-yl)acetamide
CID 62328408
3-(3-butan-2-yloxyanilino)-N-ethylpropanamide
CID 62327713

Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-yloxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-(3-butan-2-yloxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 62328410) is 1-(3-butan-2-yloxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-(3-butan-2-yloxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-(3-butan-2-yloxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CCC(C)Oc1cccc(NCC(O)COC(C)(C)C)c1.
What is the InChIKey of 1-(3-butan-2-yloxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is BNJQGUHWGDYBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-6-13(2)21-16-9-7-8-14(10-16)18-11-15(19)12-20-17(3,4)5/h7-10,13,15,18-19H,6,11-12H2,1-5H3.
What are the key properties of 1-(3-butan-2-yloxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-(3-butan-2-yloxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 295.42 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-yloxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 62328410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).