4-methyl-2-[[(2-methyl-2-phenylpropyl)amino]methyl]phenol

C18H23NO — CID 63324952

IUPAC4-methyl-2-[[(2-methyl-2-phenylpropyl)amino]methyl]phenol
SMILESCc1ccc(O)c(CNCC(C)(C)c2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-14-9-10-17(20)15(11-14)12-19-13-18(2,3)16-7-5-4-6-8-16/h4-11,19-20H,12-13H2,1-3H3
InChIKeyCVVMRWVIEOTLHU-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.77
Rot. Bonds5

About 4-methyl-2-[[(2-methyl-2-phenylpropyl)amino]methyl]phenol

4-methyl-2-[[(2-methyl-2-phenylpropyl)amino]methyl]phenol (PubChem CID 63324952) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-methyl-2-[[(2-methyl-2-phenylpropyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[[(2-methyl-2-phenylpropyl)amino]methyl]phenol
PubChem CID63324952
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-methyl-2-[[(2-methyl-2-phenylpropyl)amino]methyl]phenol
SMILESCc1ccc(O)c(CNCC(C)(C)c2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-14-9-10-17(20)15(11-14)12-19-13-18(2,3)16-7-5-4-6-8-16/h4-11,19-20H,12-13H2,1-3H3
InChIKeyCVVMRWVIEOTLHU-UHFFFAOYSA-N
XLogP3.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[(2-methyl-2-phenylpropyl)amino]methyl]benzene-1,2,3-triol
CID 103953167
3-[[(2-methyl-2-phenylpropyl)amino]methyl]benzene-1,2-diol
CID 61318092
2-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]-4-methylphenol
CID 103708054
2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol
CID 63323116
5-methyl-4-[[(2-methyl-2-phenylpropyl)amino]methyl]furan-2-carboxylic acid
CID 103240937
4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78959999
4-methyl-2-[[3-(trifluoromethyl)anilino]methyl]phenol
CID 63323664
5-methyl-2-[1-[(2-methyl-2-phenylpropyl)amino]ethyl]phenol
CID 60988135
4-methyl-2-[(3-phenoxypropylamino)methyl]phenol
CID 63325396
2-[(2-hydroxy-5-methylphenyl)methylamino]ethane-1,1-diol
CID 101326279
N-benzyl-2-[(2-hydroxy-5-methylphenyl)methylamino]acetamide
CID 63324909
3-[[(2-hydroxy-5-methylphenyl)methylamino]methyl]benzoic acid
CID 84761692

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(2-methyl-2-phenylpropyl)amino]methyl]phenol?
The IUPAC name of 4-methyl-2-[[(2-methyl-2-phenylpropyl)amino]methyl]phenol (CID 63324952) is 4-methyl-2-[[(2-methyl-2-phenylpropyl)amino]methyl]phenol.
What is the SMILES notation for 4-methyl-2-[[(2-methyl-2-phenylpropyl)amino]methyl]phenol?
The canonical SMILES for 4-methyl-2-[[(2-methyl-2-phenylpropyl)amino]methyl]phenol is Cc1ccc(O)c(CNCC(C)(C)c2ccccc2)c1.
What is the InChIKey of 4-methyl-2-[[(2-methyl-2-phenylpropyl)amino]methyl]phenol?
The InChIKey is CVVMRWVIEOTLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14-9-10-17(20)15(11-14)12-19-13-18(2,3)16-7-5-4-6-8-16/h4-11,19-20H,12-13H2,1-3H3.
What are the key properties of 4-methyl-2-[[(2-methyl-2-phenylpropyl)amino]methyl]phenol?
4-methyl-2-[[(2-methyl-2-phenylpropyl)amino]methyl]phenol has a molecular weight of 269.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(2-methyl-2-phenylpropyl)amino]methyl]phenol is sourced from PubChem (CID 63324952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).