2-(butan-2-ylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol

C17H29NO — CID 82315664

IUPAC2-(butan-2-ylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol
SMILESCCC(C)NC(C)C(O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C17H29NO/c1-8-12(4)18-15(7)17(19)16-13(5)10(2)9-11(3)14(16)6/h9,12,15,17-19H,8H2,1-7H3
InChIKeyMIJZEMYFTKYDME-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.73
Rot. Bonds5

About 2-(butan-2-ylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol

2-(butan-2-ylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol (PubChem CID 82315664) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol
PubChem CID82315664
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2-(butan-2-ylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol
SMILESCCC(C)NC(C)C(O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C17H29NO/c1-8-12(4)18-15(7)17(19)16-13(5)10(2)9-11(3)14(16)6/h9,12,15,17-19H,8H2,1-7H3
InChIKeyMIJZEMYFTKYDME-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol
CID 82312487
3-[[1-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-2-yl]amino]propanoic acid
CID 82315680
2-(cyclopropylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol
CID 82296030
3-chloro-1-(2,3,5,6-tetramethylphenyl)propane-1,2-diol
CID 171863166
2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol
CID 82312960
4-hydroxy-3-(propan-2-ylamino)-4-(2,3,5,6-tetramethylphenyl)butanoic acid
CID 82349215
2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82314916
2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)propan-2-yl]amino]butan-1-ol
CID 82315876
N-butan-2-yl-2-oxo-2-(2,3,5,6-tetramethylphenyl)acetamide
CID 82121773
N-ethyl-3-methyl-1-(2,3,5,6-tetramethylphenyl)butan-1-amine
CID 43490965
2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-ol
CID 82314100
2-(butan-2-ylamino)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 82315113

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol?
The IUPAC name of 2-(butan-2-ylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol (CID 82315664) is 2-(butan-2-ylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol?
The canonical SMILES for 2-(butan-2-ylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol is CCC(C)NC(C)C(O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of 2-(butan-2-ylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol?
The InChIKey is MIJZEMYFTKYDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-8-12(4)18-15(7)17(19)16-13(5)10(2)9-11(3)14(16)6/h9,12,15,17-19H,8H2,1-7H3.
What are the key properties of 2-(butan-2-ylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol?
2-(butan-2-ylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol has a molecular weight of 263.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(2,3,5,6-tetramethylphenyl)propan-1-ol is sourced from PubChem (CID 82315664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).