4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol

C16H28N2O2 — CID 82364248

IUPAC4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol
SMILESCCN(CC)CCCCNCc1ccc(O)c(OC)c1
InChIInChI=1S/C16H28N2O2/c1-4-18(5-2)11-7-6-10-17-13-14-8-9-15(19)16(12-14)20-3/h8-9,12,17,19H,4-7,10-11,13H2,1-3H3
InChIKeyYXOGXTRDQVRYDX-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.61
Rot. Bonds10

About 4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol

4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol (PubChem CID 82364248) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol
PubChem CID82364248
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol
SMILESCCN(CC)CCCCNCc1ccc(O)c(OC)c1
InChIInChI=1S/C16H28N2O2/c1-4-18(5-2)11-7-6-10-17-13-14-8-9-15(19)16(12-14)20-3/h8-9,12,17,19H,4-7,10-11,13H2,1-3H3
InChIKeyYXOGXTRDQVRYDX-UHFFFAOYSA-N
XLogP2.61
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol
CID 103953654
2-methoxy-4-[(nonylamino)methyl]phenol
CID 15788102
4-[(4-hydroxybutylamino)methyl]-2-methoxyphenol
CID 106840868
4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol
CID 102999096
N',N'-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine
CID 43235528
2-methoxy-4-[(3-phenylpropylamino)methyl]phenol
CID 28646730
4-[(4-hydroxy-3-methoxyphenyl)methylamino]butanamide
CID 60865183
N',N'-dibutyl-N-[(3,4-dimethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214443
2-methoxy-4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28657716
N-[(3-ethoxy-4-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17295740
2-methoxy-4-[(2-methylsulfonylethylamino)methyl]phenol
CID 54932020
2-methoxy-4-[(2-methylsulfinylethylamino)methyl]phenol
CID 115978630

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol (CID 82364248) is 4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol is CCN(CC)CCCCNCc1ccc(O)c(OC)c1.
What is the InChIKey of 4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol?
The InChIKey is YXOGXTRDQVRYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-18(5-2)11-7-6-10-17-13-14-8-9-15(19)16(12-14)20-3/h8-9,12,17,19H,4-7,10-11,13H2,1-3H3.
What are the key properties of 4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol?
4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol has a molecular weight of 280.41 g/mol, XLogP of 2.61, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 82364248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).