5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol

C15H25NO — CID 106547731

IUPAC5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol
SMILESCc1ccc(C)c(CN(C)CCCCCO)c1
InChIInChI=1S/C15H25NO/c1-13-7-8-14(2)15(11-13)12-16(3)9-5-4-6-10-17/h7-8,11,17H,4-6,9-10,12H2,1-3H3
InChIKeyNUDOBAFDVBUWSG-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.90
Rot. Bonds7

About 5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol

5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol (PubChem CID 106547731) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol
PubChem CID106547731
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol
SMILESCc1ccc(C)c(CN(C)CCCCCO)c1
InChIInChI=1S/C15H25NO/c1-13-7-8-14(2)15(11-13)12-16(3)9-5-4-6-10-17/h7-8,11,17H,4-6,9-10,12H2,1-3H3
InChIKeyNUDOBAFDVBUWSG-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.90
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

4-[(5-tert-butyl-2-methylphenyl)methyl-methylamino]butan-1-ol
CID 115217659
N'-[(2,5-dimethylphenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 115202005
[(2,5-dimethylphenyl)methyl-methylamino]methanol
CID 115229092
1-(2,4-dimethylphenyl)-2-[5-hydroxypentyl(methyl)amino]ethanone
CID 107201105
4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol
CID 115217664
4-methyl-2-[[methyl(pentyl)amino]methyl]phenol
CID 82976648
4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarbothioamide
CID 107199866
[(2,5-dimethylphenyl)methyl-methylamino]methanethiol
CID 115228030
2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide
CID 107197361
1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol
CID 62333578
2-[[3-aminopropyl(methyl)amino]methyl]-4-methylphenol
CID 115318694
5-(2,5-dimethylphenyl)sulfonylpentan-1-ol
CID 111104889

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol?
The IUPAC name of 5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol (CID 106547731) is 5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol is Cc1ccc(C)c(CN(C)CCCCCO)c1.
What is the InChIKey of 5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol?
The InChIKey is NUDOBAFDVBUWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-13-7-8-14(2)15(11-13)12-16(3)9-5-4-6-10-17/h7-8,11,17H,4-6,9-10,12H2,1-3H3.
What are the key properties of 5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol?
5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol is sourced from PubChem (CID 106547731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).