2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]-4-methylphenol

C19H36N4O — CID 15769042

IUPAC2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]-4-methylphenol
SMILESCc1cc(CN(C)CCN(C)C)c(O)c(CN(C)CCN(C)C)c1
InChIInChI=1S/C19H36N4O/c1-16-12-17(14-22(6)10-8-20(2)3)19(24)18(13-16)15-23(7)11-9-21(4)5/h12-13,24H,8-11,14-15H2,1-7H3
InChIKeyHWCBKWMBMXDRSN-UHFFFAOYSA-N
MW336.52 g/mol
LogP1.69
Rot. Bonds10

About 2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]-4-methylphenol

2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]-4-methylphenol (PubChem CID 15769042) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is 2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]-4-methylphenol
PubChem CID15769042
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC Name2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]-4-methylphenol
SMILESCc1cc(CN(C)CCN(C)C)c(O)c(CN(C)CCN(C)C)c1
InChIInChI=1S/C19H36N4O/c1-16-12-17(14-22(6)10-8-20(2)3)19(24)18(13-16)15-23(7)11-9-21(4)5/h12-13,24H,8-11,14-15H2,1-7H3
InChIKeyHWCBKWMBMXDRSN-UHFFFAOYSA-N
XLogP1.69
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]-4-methylphenol?
The IUPAC name of 2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]-4-methylphenol (CID 15769042) is 2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]-4-methylphenol.
What is the SMILES notation for 2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]-4-methylphenol?
The canonical SMILES for 2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]-4-methylphenol is Cc1cc(CN(C)CCN(C)C)c(O)c(CN(C)CCN(C)C)c1.
What is the InChIKey of 2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]-4-methylphenol?
The InChIKey is HWCBKWMBMXDRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O/c1-16-12-17(14-22(6)10-8-20(2)3)19(24)18(13-16)15-23(7)11-9-21(4)5/h12-13,24H,8-11,14-15H2,1-7H3.
What are the key properties of 2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]-4-methylphenol?
2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]-4-methylphenol has a molecular weight of 336.52 g/mol, XLogP of 1.69, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[[2-(dimethylamino)ethyl-methylamino]methyl]-4-methylphenol is sourced from PubChem (CID 15769042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).