4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol

C15H25NO — CID 115217664

IUPAC4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol
SMILESCc1cc(C)c(CN(C)CCCCO)c(C)c1
InChIInChI=1S/C15H25NO/c1-12-9-13(2)15(14(3)10-12)11-16(4)7-5-6-8-17/h9-10,17H,5-8,11H2,1-4H3
InChIKeyYVFXKYBMTYYDBT-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.82
Rot. Bonds6

About 4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol

4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol (PubChem CID 115217664) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol
PubChem CID115217664
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol
SMILESCc1cc(C)c(CN(C)CCCCO)c(C)c1
InChIInChI=1S/C15H25NO/c1-12-9-13(2)15(14(3)10-12)11-16(4)7-5-6-8-17/h9-10,17H,5-8,11H2,1-4H3
InChIKeyYVFXKYBMTYYDBT-UHFFFAOYSA-N
XLogP2.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol
CID 115216933
N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 62543775
5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol
CID 106547731
2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetaldehyde
CID 115223050
1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone
CID 107201105
4-[(5-tert-butyl-2-methylphenyl)methyl-methylamino]butan-1-ol
CID 115217659
2-(2-chloroethoxy)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 114242589
2-[[methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]butan-1-ol
CID 115250899
2,2-dimethyl-3-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid
CID 115136607
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
N-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 55085307
5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-2-one
CID 106677424

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol?
The IUPAC name of 4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol (CID 115217664) is 4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol.
What is the SMILES notation for 4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol?
The canonical SMILES for 4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol is Cc1cc(C)c(CN(C)CCCCO)c(C)c1.
What is the InChIKey of 4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol?
The InChIKey is YVFXKYBMTYYDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12-9-13(2)15(14(3)10-12)11-16(4)7-5-6-8-17/h9-10,17H,5-8,11H2,1-4H3.
What are the key properties of 4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol?
4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol is sourced from PubChem (CID 115217664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).