3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol

C17H21NO — CID 43790197

IUPAC3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol
SMILESCc1ccc(CNc2ccc(C)c(O)c2C)cc1C
InChIInChI=1S/C17H21NO/c1-11-5-7-15(9-13(11)3)10-18-16-8-6-12(2)17(19)14(16)4/h5-9,18-19H,10H2,1-4H3
InChIKeyOHLAIHYGZZAXID-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.24
Rot. Bonds3

About 3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol

3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol (PubChem CID 43790197) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol
PubChem CID43790197
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol
SMILESCc1ccc(CNc2ccc(C)c(O)c2C)cc1C
InChIInChI=1S/C17H21NO/c1-11-5-7-15(9-13(11)3)10-18-16-8-6-12(2)17(19)14(16)4/h5-9,18-19H,10H2,1-4H3
InChIKeyOHLAIHYGZZAXID-UHFFFAOYSA-N
XLogP4.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-ethylphenyl)methylamino]-2,6-dimethylphenol
CID 43741705
2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol
CID 43741704
3-[(3-bromo-4-chlorophenyl)methylamino]-2,6-dimethylphenol
CID 83229907
3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol
CID 60790057
3-[(4-cyclopropylphenyl)methylamino]-2,6-dimethylphenol
CID 79978851
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2,6-dimethylphenol
CID 43804425
4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol
CID 106953736
3-(furan-3-ylmethylamino)-2,6-dimethylphenol
CID 63204508
3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
CID 43741748
3-(ethylamino)-2,6-dimethylphenol
CID 43741904
3-[(6-methoxy-3-pyridinyl)methylamino]-2,6-dimethylphenol
CID 114936585
6-bromo-N-[(3,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine
CID 114050710

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol?
The IUPAC name of 3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol (CID 43790197) is 3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol?
The canonical SMILES for 3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol is Cc1ccc(CNc2ccc(C)c(O)c2C)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol?
The InChIKey is OHLAIHYGZZAXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-11-5-7-15(9-13(11)3)10-18-16-8-6-12(2)17(19)14(16)4/h5-9,18-19H,10H2,1-4H3.
What are the key properties of 3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol?
3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol has a molecular weight of 255.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol is sourced from PubChem (CID 43790197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).