3-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)propan-1-ol

C16H27NO — CID 82074631

IUPAC3-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)propan-1-ol
SMILESCCCCN(C)CCC(O)c1ccc(C)cc1C
InChIInChI=1S/C16H27NO/c1-5-6-10-17(4)11-9-16(18)15-8-7-13(2)12-14(15)3/h7-8,12,16,18H,5-6,9-11H2,1-4H3
InChIKeyCCUFNJXQANSYSB-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.46
Rot. Bonds7

About 3-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)propan-1-ol

3-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)propan-1-ol (PubChem CID 82074631) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)propan-1-ol
PubChem CID82074631
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)propan-1-ol
SMILESCCCCN(C)CCC(O)c1ccc(C)cc1C
InChIInChI=1S/C16H27NO/c1-5-6-10-17(4)11-9-16(18)15-8-7-13(2)12-14(15)3/h7-8,12,16,18H,5-6,9-11H2,1-4H3
InChIKeyCCUFNJXQANSYSB-UHFFFAOYSA-N
XLogP3.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-methylamino]butan-2-ol
CID 111476844
3-[methyl(pentyl)amino]-1-(3-methylphenyl)propan-1-ol
CID 62624007
1-(3-amino-4-methylphenyl)-3-[butyl(methyl)amino]propan-1-ol
CID 82136110
(1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol
CID 93182212
5-(2,4-dimethylphenyl)-N-ethyl-5-hydroxypentanamide
CID 112510395
1-(2-fluoro-4-methylphenyl)pentan-1-ol
CID 115783255
1-(2,4-dimethylphenyl)-4-methylsulfonylbutan-1-ol
CID 65147990
3-[[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-methylamino]propanoic acid
CID 82216029
1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol
CID 61100605
4-(2,4-dimethylphenyl)-4-hydroxybutanenitrile
CID 82075433
1-(2,4-dimethylphenyl)undecylhydrazine
CID 105298321
2-(dibutylamino)-1-(2,5-dimethylphenyl)ethanol
CID 63472284

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)propan-1-ol (CID 82074631) is 3-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)propan-1-ol is CCCCN(C)CCC(O)c1ccc(C)cc1C.
What is the InChIKey of 3-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)propan-1-ol?
The InChIKey is CCUFNJXQANSYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-6-10-17(4)11-9-16(18)15-8-7-13(2)12-14(15)3/h7-8,12,16,18H,5-6,9-11H2,1-4H3.
What are the key properties of 3-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)propan-1-ol?
3-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)propan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 82074631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).