2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-4-methylphenol

C14H23NO2 — CID 103708054

IUPAC2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNCC(C)(C)CCO)c1
InChIInChI=1S/C14H23NO2/c1-11-4-5-13(17)12(8-11)9-15-10-14(2,3)6-7-16/h4-5,8,15-17H,6-7,9-10H2,1-3H3
InChIKeyIBRTUPBLNOEAHQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.20
Rot. Bonds6

About 2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-4-methylphenol

2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-4-methylphenol (PubChem CID 103708054) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-4-methylphenol
PubChem CID103708054
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNCC(C)(C)CCO)c1
InChIInChI=1S/C14H23NO2/c1-11-4-5-13(17)12(8-11)9-15-10-14(2,3)6-7-16/h4-5,8,15-17H,6-7,9-10H2,1-3H3
InChIKeyIBRTUPBLNOEAHQ-UHFFFAOYSA-N
XLogP2.20
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[[(2-methyl-2-phenylpropyl)amino]methyl]phenol
CID 63324952
N-[(2,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204385
2-chloro-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol
CID 113245011
4-chloro-2-[(2,2-dimethylbutylamino)methyl]phenol
CID 103460689
4-[(2,4-dichlorophenyl)methylamino]-3,3-dimethylbutan-1-ol
CID 103708139
2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol
CID 101326279
2-[[3-(dimethylamino)propylamino]methyl]-4-methylphenol
CID 21057500
2-ethoxy-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]phenol
CID 106143749
4-[(4-bromo-2-chlorophenyl)methylamino]-3,3-dimethylbutan-1-ol
CID 103708043
4-[(5-bromo-2-chlorophenyl)methylamino]-3,3-dimethylbutan-1-ol
CID 103793251
4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
CID 103897567
4-methyl-2-[(2-methylsulfanylethylamino)methyl]phenol
CID 63983272

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-4-methylphenol?
The IUPAC name of 2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-4-methylphenol (CID 103708054) is 2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-4-methylphenol is Cc1ccc(O)c(CNCC(C)(C)CCO)c1.
What is the InChIKey of 2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-4-methylphenol?
The InChIKey is IBRTUPBLNOEAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-4-5-13(17)12(8-11)9-15-10-14(2,3)6-7-16/h4-5,8,15-17H,6-7,9-10H2,1-3H3.
What are the key properties of 2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-4-methylphenol?
2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-4-methylphenol has a molecular weight of 237.34 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-4-methylphenol is sourced from PubChem (CID 103708054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).