4-[[3-(diethylamino)propyl-ethylamino]methyl]-2,6-dimethylphenol

C18H32N2O — CID 102999125

IUPAC4-[[3-(diethylamino)propyl-ethylamino]methyl]-2,6-dimethylphenol
SMILESCCN(CC)CCCN(CC)Cc1cc(C)c(O)c(C)c1
InChIInChI=1S/C18H32N2O/c1-6-19(7-2)10-9-11-20(8-3)14-17-12-15(4)18(21)16(5)13-17/h12-13,21H,6-11,14H2,1-5H3
InChIKeyDRCROTAGMACSRM-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.56
Rot. Bonds9

About 4-[[3-(diethylamino)propyl-ethylamino]methyl]-2,6-dimethylphenol

4-[[3-(diethylamino)propyl-ethylamino]methyl]-2,6-dimethylphenol (PubChem CID 102999125) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-[[3-(diethylamino)propyl-ethylamino]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[3-(diethylamino)propyl-ethylamino]methyl]-2,6-dimethylphenol
PubChem CID102999125
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name4-[[3-(diethylamino)propyl-ethylamino]methyl]-2,6-dimethylphenol
SMILESCCN(CC)CCCN(CC)Cc1cc(C)c(O)c(C)c1
InChIInChI=1S/C18H32N2O/c1-6-19(7-2)10-9-11-20(8-3)14-17-12-15(4)18(21)16(5)13-17/h12-13,21H,6-11,14H2,1-5H3
InChIKeyDRCROTAGMACSRM-UHFFFAOYSA-N
XLogP3.56
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylaminomethyl)-2,6-dimethylphenol
CID 15576438
4-[[ethyl(2-methoxyethyl)amino]methyl]-2,6-dimethylphenol
CID 82986228
4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol
CID 82975285
2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methylphenol
CID 102999108
ethane;4-ethyl-2,6-dimethylphenol
CID 143343408
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-propylamino]-N-methylacetamide
CID 82986749
4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol
CID 102999096
N-[(3,5-diethylphenyl)methyl]-N-ethylbutan-1-amine
CID 157340132
N'-[(3-amino-5-bromophenyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994556
5,11,17,23-tetrakis[(dihexylamino)methyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 132507482
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 65067154
2,4,6-tris(diethylaminomethyl)phenol
CID 18544187

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(diethylamino)propyl-ethylamino]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[3-(diethylamino)propyl-ethylamino]methyl]-2,6-dimethylphenol (CID 102999125) is 4-[[3-(diethylamino)propyl-ethylamino]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[3-(diethylamino)propyl-ethylamino]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[3-(diethylamino)propyl-ethylamino]methyl]-2,6-dimethylphenol is CCN(CC)CCCN(CC)Cc1cc(C)c(O)c(C)c1.
What is the InChIKey of 4-[[3-(diethylamino)propyl-ethylamino]methyl]-2,6-dimethylphenol?
The InChIKey is DRCROTAGMACSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-19(7-2)10-9-11-20(8-3)14-17-12-15(4)18(21)16(5)13-17/h12-13,21H,6-11,14H2,1-5H3.
What are the key properties of 4-[[3-(diethylamino)propyl-ethylamino]methyl]-2,6-dimethylphenol?
4-[[3-(diethylamino)propyl-ethylamino]methyl]-2,6-dimethylphenol has a molecular weight of 292.47 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(diethylamino)propyl-ethylamino]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 102999125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).