4-methyl-2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]phenol

C18H23NO — CID 63324431

IUPAC4-methyl-2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]phenol
SMILESCc1ccc(O)c(CNC(C)Cc2ccccc2C)c1
InChIInChI=1S/C18H23NO/c1-13-8-9-18(20)17(10-13)12-19-15(3)11-16-7-5-4-6-14(16)2/h4-10,15,19-20H,11-12H2,1-3H3
InChIKeyCCIYDPHUMRFNPJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.73
Rot. Bonds5

About 4-methyl-2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]phenol

4-methyl-2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]phenol (PubChem CID 63324431) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-methyl-2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]phenol
PubChem CID63324431
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-methyl-2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]phenol
SMILESCc1ccc(O)c(CNC(C)Cc2ccccc2C)c1
InChIInChI=1S/C18H23NO/c1-13-8-9-18(20)17(10-13)12-19-15(3)11-16-7-5-4-6-14(16)2/h4-10,15,19-20H,11-12H2,1-3H3
InChIKeyCCIYDPHUMRFNPJ-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
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

2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol
CID 95379080
3-[(2-hydroxy-5-methylphenyl)methylamino]butanenitrile
CID 104586902
4-methyl-2-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78959999
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 62136472
4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol
CID 63327011
1-(2-methylphenyl)-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine
CID 80707990
4-bromo-2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 107737675
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
4-methyl-2-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81360761
2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide
CID 63324695
2-[1-[(2-hydroxyphenyl)methylamino]ethyl]-5-methylphenol
CID 104582169
N-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine
CID 60657519

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]phenol?
The IUPAC name of 4-methyl-2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]phenol (CID 63324431) is 4-methyl-2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]phenol.
What is the SMILES notation for 4-methyl-2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]phenol?
The canonical SMILES for 4-methyl-2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]phenol is Cc1ccc(O)c(CNC(C)Cc2ccccc2C)c1.
What is the InChIKey of 4-methyl-2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]phenol?
The InChIKey is CCIYDPHUMRFNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-8-9-18(20)17(10-13)12-19-15(3)11-16-7-5-4-6-14(16)2/h4-10,15,19-20H,11-12H2,1-3H3.
What are the key properties of 4-methyl-2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]phenol?
4-methyl-2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]phenol has a molecular weight of 269.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]phenol is sourced from PubChem (CID 63324431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).