2,6-dimethyl-3-[(1-methylazepan-4-yl)amino]phenol

C15H24N2O — CID 65070779

IUPAC2,6-dimethyl-3-[(1-methylazepan-4-yl)amino]phenol
SMILESCc1ccc(NC2CCCN(C)CC2)c(C)c1O
InChIInChI=1S/C15H24N2O/c1-11-6-7-14(12(2)15(11)18)16-13-5-4-9-17(3)10-8-13/h6-7,13,16,18H,4-5,8-10H2,1-3H3
InChIKeyJAZSWHJFMDCWPZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.91
Rot. Bonds2

About 2,6-dimethyl-3-[(1-methylazepan-4-yl)amino]phenol

2,6-dimethyl-3-[(1-methylazepan-4-yl)amino]phenol (PubChem CID 65070779) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,6-dimethyl-3-[(1-methylazepan-4-yl)amino]phenol.

Molecular Properties

Compound Name2,6-dimethyl-3-[(1-methylazepan-4-yl)amino]phenol
PubChem CID65070779
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2,6-dimethyl-3-[(1-methylazepan-4-yl)amino]phenol
SMILESCc1ccc(NC2CCCN(C)CC2)c(C)c1O
InChIInChI=1S/C15H24N2O/c1-11-6-7-14(12(2)15(11)18)16-13-5-4-9-17(3)10-8-13/h6-7,13,16,18H,4-5,8-10H2,1-3H3
InChIKeyJAZSWHJFMDCWPZ-UHFFFAOYSA-N
XLogP2.91
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylamino)-2,6-dimethylphenol
CID 103439123
2,6-dimethyl-3-[(1-propylpiperidin-4-yl)amino]phenol
CID 43741721
2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
CID 43741661
8-methyl-N-(1-methylazepan-4-yl)quinolin-5-amine
CID 65070427
N-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine
CID 65071149
1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azepan-4-amine
CID 65071434
N-(2-iodophenyl)-1-methylazepan-4-amine
CID 65071250
3-(1,4-dioxaspiro[4.5]decan-8-ylamino)-2,6-dimethylphenol
CID 43741833
N-(2,4-dimethyl-5-nitrophenyl)-1-methylazepan-4-amine
CID 104757350
3,4-dimethyl-5-[(1-methylazepan-4-yl)amino]benzenesulfonamide
CID 65070560
N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine
CID 65071350
5-fluoro-2-[(1-methylazepan-4-yl)amino]benzonitrile
CID 82015465

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[(1-methylazepan-4-yl)amino]phenol?
The IUPAC name of 2,6-dimethyl-3-[(1-methylazepan-4-yl)amino]phenol (CID 65070779) is 2,6-dimethyl-3-[(1-methylazepan-4-yl)amino]phenol.
What is the SMILES notation for 2,6-dimethyl-3-[(1-methylazepan-4-yl)amino]phenol?
The canonical SMILES for 2,6-dimethyl-3-[(1-methylazepan-4-yl)amino]phenol is Cc1ccc(NC2CCCN(C)CC2)c(C)c1O.
What is the InChIKey of 2,6-dimethyl-3-[(1-methylazepan-4-yl)amino]phenol?
The InChIKey is JAZSWHJFMDCWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-6-7-14(12(2)15(11)18)16-13-5-4-9-17(3)10-8-13/h6-7,13,16,18H,4-5,8-10H2,1-3H3.
What are the key properties of 2,6-dimethyl-3-[(1-methylazepan-4-yl)amino]phenol?
2,6-dimethyl-3-[(1-methylazepan-4-yl)amino]phenol has a molecular weight of 248.37 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[(1-methylazepan-4-yl)amino]phenol is sourced from PubChem (CID 65070779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).