2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol

C17H30N2O2 — CID 102999106

IUPAC2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol
SMILESCCN(CC)CCCN(CC)Cc1cccc(OC)c1O
InChIInChI=1S/C17H30N2O2/c1-5-18(6-2)12-9-13-19(7-3)14-15-10-8-11-16(21-4)17(15)20/h8,10-11,20H,5-7,9,12-14H2,1-4H3
InChIKeyJKOCXUAIWIJLBA-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.95
Rot. Bonds10

About 2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol

2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol (PubChem CID 102999106) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol
PubChem CID102999106
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol
SMILESCCN(CC)CCCN(CC)Cc1cccc(OC)c1O
InChIInChI=1S/C17H30N2O2/c1-5-18(6-2)12-9-13-19(7-3)14-15-10-8-11-16(21-4)17(15)20/h8,10-11,20H,5-7,9,12-14H2,1-4H3
InChIKeyJKOCXUAIWIJLBA-UHFFFAOYSA-N
XLogP2.95
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methylphenol
CID 102999108
2-[[ethyl(2-ethylbutyl)amino]methyl]-6-methoxyphenol
CID 82978769
2-[2-(dimethylamino)ethyl-[(2-hydroxy-3-methoxyphenyl)methyl]amino]acetic acid
CID 107426429
ethane;2-methoxy-6-propylphenol
CID 142869062
N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine
CID 4658188
4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol
CID 102999096
2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol
CID 82977158
2-heptadecyl-6-methoxyphenol
CID 10713705
2-methoxy-6-(phosphanylmethyl)phenol
CID 155024507
2-methoxy-6-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106603811
2-methoxy-6-[[piperidin-2-ylmethyl(propyl)amino]methyl]phenol
CID 106623254
3-[(dibutylamino)methyl]benzene-1,2-diol
CID 15553610

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol (CID 102999106) is 2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol is CCN(CC)CCCN(CC)Cc1cccc(OC)c1O.
What is the InChIKey of 2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol?
The InChIKey is JKOCXUAIWIJLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-18(6-2)12-9-13-19(7-3)14-15-10-8-11-16(21-4)17(15)20/h8,10-11,20H,5-7,9,12-14H2,1-4H3.
What are the key properties of 2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol?
2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol has a molecular weight of 294.44 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol is sourced from PubChem (CID 102999106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).