4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol

C17H30N2O2 — CID 102999096

IUPAC4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol
SMILESCCN(CC)CCCN(CC)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C17H30N2O2/c1-5-18(6-2)11-8-12-19(7-3)14-15-9-10-16(20)17(13-15)21-4/h9-10,13,20H,5-8,11-12,14H2,1-4H3
InChIKeyCVJFXGJYUXZVAJ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.95
Rot. Bonds10

About 4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol

4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol (PubChem CID 102999096) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol
PubChem CID102999096
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol
SMILESCCN(CC)CCCN(CC)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C17H30N2O2/c1-5-18(6-2)11-8-12-19(7-3)14-15-9-10-16(20)17(13-15)21-4/h9-10,13,20H,5-8,11-12,14H2,1-4H3
InChIKeyCVJFXGJYUXZVAJ-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

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Related Compounds

4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxyphenol
CID 82977222
4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol
CID 82364248
5-[[3-(dimethylamino)propyl-ethylamino]methyl]-2-methoxybenzoic acid
CID 102998109
ethane;2-methoxy-4-propylphenol
CID 144852330
N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine
CID 60688736
4-amino-2-[[3-(diethylamino)propyl-ethylamino]methyl]phenol
CID 102991610
N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine
CID 43154838
N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-[(3,4-dimethoxyphenyl)methyl]-N,N-diethylpropane-1,3-diamine
CID 110194299
3-(diethylamino)propyl 4-hydroxy-3-methoxybenzoate
CID 2248948
4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol
CID 103953654
N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine
CID 103102095
2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol
CID 102999106

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol (CID 102999096) is 4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol is CCN(CC)CCCN(CC)Cc1ccc(O)c(OC)c1.
What is the InChIKey of 4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol?
The InChIKey is CVJFXGJYUXZVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-18(6-2)11-8-12-19(7-3)14-15-9-10-16(20)17(13-15)21-4/h9-10,13,20H,5-8,11-12,14H2,1-4H3.
What are the key properties of 4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol?
4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-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 4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 102999096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).