5-[1-[(2,6-dimethyl-3-pyridinyl)amino]propan-2-yl]-2-methylphenol

C17H22N2O — CID 59073560

IUPAC5-[1-[(2,6-dimethyl-3-pyridinyl)amino]propan-2-yl]-2-methylphenol
SMILESCc1ccc(NCC(C)c2ccc(C)c(O)c2)c(C)n1
InChIInChI=1S/C17H22N2O/c1-11-5-7-15(9-17(11)20)12(2)10-18-16-8-6-13(3)19-14(16)4/h5-9,12,18,20H,10H2,1-4H3
InChIKeyHLKDEVKXTGWIDM-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.93
Rot. Bonds4

About 5-[1-[(2,6-dimethyl-3-pyridinyl)amino]propan-2-yl]-2-methylphenol

5-[1-[(2,6-dimethyl-3-pyridinyl)amino]propan-2-yl]-2-methylphenol (PubChem CID 59073560) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-[1-[(2,6-dimethyl-3-pyridinyl)amino]propan-2-yl]-2-methylphenol.

Molecular Properties

Compound Name5-[1-[(2,6-dimethyl-3-pyridinyl)amino]propan-2-yl]-2-methylphenol
PubChem CID59073560
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name5-[1-[(2,6-dimethyl-3-pyridinyl)amino]propan-2-yl]-2-methylphenol
SMILESCc1ccc(NCC(C)c2ccc(C)c(O)c2)c(C)n1
InChIInChI=1S/C17H22N2O/c1-11-5-7-15(9-17(11)20)12(2)10-18-16-8-6-13(3)19-14(16)4/h5-9,12,18,20H,10H2,1-4H3
InChIKeyHLKDEVKXTGWIDM-UHFFFAOYSA-N
XLogP3.93
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(2,6-dimethyl-3-pyridinyl)amino]-1-(1-sulfanylidene-1λ5-phospholan-1-yl)ethyl]-2-methylphenol
CID 11383244
5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol
CID 130678232
4-[1-diethoxyphosphoryl-2-[(2,6-dimethyl-3-pyridinyl)amino]ethyl]-2-methoxyphenol
CID 10294875
2-methyl-5-pentan-2-ylphenol
CID 130033342
2,6-dimethyl-3-(2-phenylpropylamino)phenol
CID 43741638
2-methyl-5-[(2R)-6-methylheptan-2-yl]phenol
CID 71369401
N-[[3-(difluoromethyl)phenyl]methyl]-2,6-dimethylpyridin-3-amine
CID 115526620
2,6-dimethyl-4-(2-phenylpropylamino)pyridine-3-carbothioamide
CID 104591581
N-[2-(6-methoxynaphthalen-2-yl)propyl]-2,4-dimethylaniline
CID 54856285
5-[1-[(2,6-dimethyl-3-pyridinyl)amino]-2-di(propan-2-yloxy)phosphorylethyl]-2-methoxy-3-methylphenol
CID 10114838
6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one
CID 15858385
N-(2,6-dimethyl-3-pyridinyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106071152

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2,6-dimethyl-3-pyridinyl)amino]propan-2-yl]-2-methylphenol?
The IUPAC name of 5-[1-[(2,6-dimethyl-3-pyridinyl)amino]propan-2-yl]-2-methylphenol (CID 59073560) is 5-[1-[(2,6-dimethyl-3-pyridinyl)amino]propan-2-yl]-2-methylphenol.
What is the SMILES notation for 5-[1-[(2,6-dimethyl-3-pyridinyl)amino]propan-2-yl]-2-methylphenol?
The canonical SMILES for 5-[1-[(2,6-dimethyl-3-pyridinyl)amino]propan-2-yl]-2-methylphenol is Cc1ccc(NCC(C)c2ccc(C)c(O)c2)c(C)n1.
What is the InChIKey of 5-[1-[(2,6-dimethyl-3-pyridinyl)amino]propan-2-yl]-2-methylphenol?
The InChIKey is HLKDEVKXTGWIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-5-7-15(9-17(11)20)12(2)10-18-16-8-6-13(3)19-14(16)4/h5-9,12,18,20H,10H2,1-4H3.
What are the key properties of 5-[1-[(2,6-dimethyl-3-pyridinyl)amino]propan-2-yl]-2-methylphenol?
5-[1-[(2,6-dimethyl-3-pyridinyl)amino]propan-2-yl]-2-methylphenol has a molecular weight of 270.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2,6-dimethyl-3-pyridinyl)amino]propan-2-yl]-2-methylphenol is sourced from PubChem (CID 59073560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).