4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol

C17H21NO — CID 78959999

IUPAC4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol
SMILESCc1ccc(O)c(CNCCc2ccccc2C)c1
InChIInChI=1S/C17H21NO/c1-13-7-8-17(19)16(11-13)12-18-10-9-15-6-4-3-5-14(15)2/h3-8,11,18-19H,9-10,12H2,1-2H3
InChIKeyDAOLYOBNIQBXDQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.34
Rot. Bonds5

About 4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol

4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol (PubChem CID 78959999) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol
PubChem CID78959999
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol
SMILESCc1ccc(O)c(CNCCc2ccccc2C)c1
InChIInChI=1S/C17H21NO/c1-13-7-8-17(19)16(11-13)12-18-10-9-15-6-4-3-5-14(15)2/h3-8,11,18-19H,9-10,12H2,1-2H3
InChIKeyDAOLYOBNIQBXDQ-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2-methylphenyl)ethylamino]methyl]benzene-1,2-diol
CID 79762957
2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol
CID 63323116
2-[[3-(dimethylamino)propylamino]methyl]-4-methylphenol
CID 21057500
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
4-methyl-2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]phenol
CID 63324431
4-methyl-2-[(2-methylsulfanylethylamino)methyl]phenol
CID 63983272
3-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78910580
4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol
CID 63325666
2-[2-(2-hydroxyphenyl)ethyl]-4-methylphenol
CID 154267038
4-methyl-2-[(3-phenoxypropylamino)methyl]phenol
CID 63325396
N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910561
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79763664

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol?
The IUPAC name of 4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol (CID 78959999) is 4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol.
What is the SMILES notation for 4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol?
The canonical SMILES for 4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol is Cc1ccc(O)c(CNCCc2ccccc2C)c1.
What is the InChIKey of 4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol?
The InChIKey is DAOLYOBNIQBXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-7-8-17(19)16(11-13)12-18-10-9-15-6-4-3-5-14(15)2/h3-8,11,18-19H,9-10,12H2,1-2H3.
What are the key properties of 4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol?
4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol has a molecular weight of 255.36 g/mol, XLogP of 3.34, 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-(2-methylphenyl)ethylamino]methyl]phenol is sourced from PubChem (CID 78959999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).