2,6-dimethyl-4-[(4-propan-2-yloxyanilino)methyl]phenol

C18H23NO2 — CID 28969409

IUPAC2,6-dimethyl-4-[(4-propan-2-yloxyanilino)methyl]phenol
SMILESCc1cc(CNc2ccc(OC(C)C)cc2)cc(C)c1O
InChIInChI=1S/C18H23NO2/c1-12(2)21-17-7-5-16(6-8-17)19-11-15-9-13(3)18(20)14(4)10-15/h5-10,12,19-20H,11H2,1-4H3
InChIKeyGZTOGFHKFOWIQP-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.41
Rot. Bonds5

About 2,6-dimethyl-4-[(4-propan-2-yloxyanilino)methyl]phenol

2,6-dimethyl-4-[(4-propan-2-yloxyanilino)methyl]phenol (PubChem CID 28969409) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(4-propan-2-yloxyanilino)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[(4-propan-2-yloxyanilino)methyl]phenol
PubChem CID28969409
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2,6-dimethyl-4-[(4-propan-2-yloxyanilino)methyl]phenol
SMILESCc1cc(CNc2ccc(OC(C)C)cc2)cc(C)c1O
InChIInChI=1S/C18H23NO2/c1-12(2)21-17-7-5-16(6-8-17)19-11-15-9-13(3)18(20)14(4)10-15/h5-10,12,19-20H,11H2,1-4H3
InChIKeyGZTOGFHKFOWIQP-UHFFFAOYSA-N
XLogP4.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-4-[(4-methylanilino)methyl]phenol
CID 28932362
4-[(4-ethylanilino)methyl]-2,6-dimethylphenol
CID 28932346
4-propan-2-yloxy-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63052213
N-benzyl-4-propan-2-yloxyaniline
CID 28969524
4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol
CID 28932342
N-[[4-(2-methylpropoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 39455797
N-[(4-pentoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 54799858
2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol
CID 66352322
fluoro 2-hydroxy-4-[(4-propan-2-yloxyphenyl)methylamino]benzoate
CID 145486742
2,6-dibromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 107740455
N-[[4-(3-methylbutoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 54799891
1-(4-propan-2-yloxyanilino)propan-2-ol
CID 60884115

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(4-propan-2-yloxyanilino)methyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[(4-propan-2-yloxyanilino)methyl]phenol (CID 28969409) is 2,6-dimethyl-4-[(4-propan-2-yloxyanilino)methyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[(4-propan-2-yloxyanilino)methyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[(4-propan-2-yloxyanilino)methyl]phenol is Cc1cc(CNc2ccc(OC(C)C)cc2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[(4-propan-2-yloxyanilino)methyl]phenol?
The InChIKey is GZTOGFHKFOWIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12(2)21-17-7-5-16(6-8-17)19-11-15-9-13(3)18(20)14(4)10-15/h5-10,12,19-20H,11H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-[(4-propan-2-yloxyanilino)methyl]phenol?
2,6-dimethyl-4-[(4-propan-2-yloxyanilino)methyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(4-propan-2-yloxyanilino)methyl]phenol is sourced from PubChem (CID 28969409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).