2-methyl-3-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol

C15H25NO — CID 111448648

IUPAC2-methyl-3-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol
SMILESCc1cc(C)c(CNC(C)C(C)CO)cc1C
InChIInChI=1S/C15H25NO/c1-10-6-12(3)15(7-11(10)2)8-16-14(5)13(4)9-17/h6-7,13-14,16-17H,8-9H2,1-5H3
InChIKeyAWTQGQUDXNEFGC-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.72
Rot. Bonds5

About 2-methyl-3-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol

2-methyl-3-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol (PubChem CID 111448648) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methyl-3-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol
PubChem CID111448648
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-methyl-3-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol
SMILESCc1cc(C)c(CNC(C)C(C)CO)cc1C
InChIInChI=1S/C15H25NO/c1-10-6-12(3)15(7-11(10)2)8-16-14(5)13(4)9-17/h6-7,13-14,16-17H,8-9H2,1-5H3
InChIKeyAWTQGQUDXNEFGC-UHFFFAOYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]-4,5-dimethylphenol
CID 111467132
2-methyl-3-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol
CID 115644564
3-[(2,5-difluorophenyl)methylamino]-2-methylbutan-1-ol
CID 111448600
methyl 2-[(2,4,5-trimethylphenyl)methylamino]propanoate
CID 60781980
4-fluoro-2-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenol
CID 103948850
4-bromo-2-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenol
CID 111448631
3-[(5-bromo-2-chlorophenyl)methylamino]-2-methylbutan-1-ol
CID 115732589
2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4,5-dimethylphenol
CID 103698714
1,2-diphenyl-N,N'-bis[(2,4,5-trimethylphenyl)methyl]ethane-1,2-diamine
CID 139633406
3-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]-2-methylbutan-1-ol
CID 115644584
2-methyl-3-[(3,4,5-trifluorophenyl)methylamino]butan-1-ol
CID 111448482
3-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-methylbutan-1-ol
CID 115644565

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol?
The IUPAC name of 2-methyl-3-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol (CID 111448648) is 2-methyl-3-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol.
What is the SMILES notation for 2-methyl-3-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol?
The canonical SMILES for 2-methyl-3-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol is Cc1cc(C)c(CNC(C)C(C)CO)cc1C.
What is the InChIKey of 2-methyl-3-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol?
The InChIKey is AWTQGQUDXNEFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10-6-12(3)15(7-11(10)2)8-16-14(5)13(4)9-17/h6-7,13-14,16-17H,8-9H2,1-5H3.
What are the key properties of 2-methyl-3-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol?
2-methyl-3-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2,4,5-trimethylphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 111448648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).