4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-1-ol

C16H27NO — CID 116907780

IUPAC4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-1-ol
SMILESCc1cc(C)c(C)c(C(CCCO)N(C)C)c1C
InChIInChI=1S/C16H27NO/c1-11-10-12(2)14(4)16(13(11)3)15(17(5)6)8-7-9-18/h10,15,18H,7-9H2,1-6H3
InChIKeyCYLFBHJEAMBBRH-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.30
Rot. Bonds5

About 4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-1-ol

4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-1-ol (PubChem CID 116907780) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-1-ol.

Molecular Properties

Compound Name4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-1-ol
PubChem CID116907780
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-1-ol
SMILESCc1cc(C)c(C)c(C(CCCO)N(C)C)c1C
InChIInChI=1S/C16H27NO/c1-11-10-12(2)14(4)16(13(11)3)15(17(5)6)8-7-9-18/h10,15,18H,7-9H2,1-6H3
InChIKeyCYLFBHJEAMBBRH-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-3-(2,3,5,6-tetramethylphenyl)propane-1-thiol
CID 116908941
N,N-dimethyl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine
CID 82286430
4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-2-one
CID 116910513
1-N,1-N,3-trimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine
CID 116905046
3-[[2-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethyl]amino]propan-1-ol
CID 82315649
1-(2-methoxy-3,4,6-trimethylphenyl)butane-1,4-diol
CID 116861375
3-(dimethylamino)-3-(4-ethoxy-2,6-dimethylphenyl)propan-1-ol
CID 83940208
1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine
CID 116904598
3-(2,3,5,6-tetramethylanilino)propan-1-ol
CID 115216623
1-(2,4,5-trimethylphenyl)butane-1,4-diol
CID 82470579
1-hydrazinyl-N,N-dimethyl-1-(2,3,5,6-tetramethylphenyl)methanamine
CID 116914873
3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol
CID 116907711

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-1-ol?
The IUPAC name of 4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-1-ol (CID 116907780) is 4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-1-ol.
What is the SMILES notation for 4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-1-ol?
The canonical SMILES for 4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-1-ol is Cc1cc(C)c(C)c(C(CCCO)N(C)C)c1C.
What is the InChIKey of 4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-1-ol?
The InChIKey is CYLFBHJEAMBBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-11-10-12(2)14(4)16(13(11)3)15(17(5)6)8-7-9-18/h10,15,18H,7-9H2,1-6H3.
What are the key properties of 4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-1-ol?
4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-1-ol is sourced from PubChem (CID 116907780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).