2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol

C17H21NO — CID 28889201

IUPAC2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol
SMILESCc1cccc(CNCc2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C17H21NO/c1-12-5-4-6-15(7-12)10-18-11-16-8-13(2)17(19)14(3)9-16/h4-9,18-19H,10-11H2,1-3H3
InChIKeyYSRFLGYFKPREMW-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.61
Rot. Bonds4

About 2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol

2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol (PubChem CID 28889201) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol
PubChem CID28889201
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol
SMILESCc1cccc(CNCc2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C17H21NO/c1-12-5-4-6-15(7-12)10-18-11-16-8-13(2)17(19)14(3)9-16/h4-9,18-19H,10-11H2,1-3H3
InChIKeyYSRFLGYFKPREMW-UHFFFAOYSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
2,4-dichloro-6-[[(3-methylphenyl)methylamino]methyl]phenol
CID 28664013
1-[4-(chloromethyl)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 107233003
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
CID 79832467
6-methyl-2-[[(3-methylphenyl)methylamino]methyl]pyridin-3-ol
CID 78928518
N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 29282807
N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine
CID 104796752
2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol
CID 43741704
4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol
CID 103631788
1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
CID 54984173
4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2,6-dimethylphenol
CID 28831979

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol (CID 28889201) is 2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol is Cc1cccc(CNCc2cc(C)c(O)c(C)c2)c1.
What is the InChIKey of 2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol?
The InChIKey is YSRFLGYFKPREMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-5-4-6-15(7-12)10-18-11-16-8-13(2)17(19)14(3)9-16/h4-9,18-19H,10-11H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol?
2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol has a molecular weight of 255.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol is sourced from PubChem (CID 28889201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).