2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol

C16H19NO — CID 43741704

IUPAC2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol
SMILESCc1cccc(CNc2ccc(C)c(O)c2C)c1
InChIInChI=1S/C16H19NO/c1-11-5-4-6-14(9-11)10-17-15-8-7-12(2)16(18)13(15)3/h4-9,17-18H,10H2,1-3H3
InChIKeyJUNYNXIDKZBPPN-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.93
Rot. Bonds3

About 2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol

2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol (PubChem CID 43741704) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol.

Molecular Properties

Compound Name2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol
PubChem CID43741704
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol
SMILESCc1cccc(CNc2ccc(C)c(O)c2C)c1
InChIInChI=1S/C16H19NO/c1-11-5-4-6-14(9-11)10-17-15-8-7-12(2)16(18)13(15)3/h4-9,17-18H,10H2,1-3H3
InChIKeyJUNYNXIDKZBPPN-UHFFFAOYSA-N
XLogP3.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol
CID 43790197
3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol
CID 60790057
3-[(4-ethylphenyl)methylamino]-2,6-dimethylphenol
CID 43741705
3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
CID 43741748
3-[(2-ethylphenyl)methylamino]-2,6-dimethylphenol
CID 62392114
3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol
CID 43741707
5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 28553559
3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
CID 61391803
3-[(4-cyclopropylphenyl)methylamino]-2,6-dimethylphenol
CID 79978851
3-[(3-methoxy-2,4-dimethylanilino)methyl]phenol
CID 43739022
3-[[4-fluoro-2-[(3-methylphenyl)methylamino]anilino]methyl]phenol
CID 118500241
2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol
CID 28889201

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol?
The IUPAC name of 2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol (CID 43741704) is 2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol.
What is the SMILES notation for 2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol?
The canonical SMILES for 2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol is Cc1cccc(CNc2ccc(C)c(O)c2C)c1.
What is the InChIKey of 2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol?
The InChIKey is JUNYNXIDKZBPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11-5-4-6-14(9-11)10-17-15-8-7-12(2)16(18)13(15)3/h4-9,17-18H,10H2,1-3H3.
What are the key properties of 2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol?
2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol has a molecular weight of 241.33 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol is sourced from PubChem (CID 43741704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).