4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol

C15H26N2O2 — CID 103953654

IUPAC4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol
SMILESCCCN(CC)CCNCc1ccc(O)c(OC)c1
InChIInChI=1S/C15H26N2O2/c1-4-9-17(5-2)10-8-16-12-13-6-7-14(18)15(11-13)19-3/h6-7,11,16,18H,4-5,8-10,12H2,1-3H3
InChIKeyLEPZVPYCXZTUNV-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.22
Rot. Bonds9

About 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol

4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol (PubChem CID 103953654) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol
PubChem CID103953654
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol
SMILESCCCN(CC)CCNCc1ccc(O)c(OC)c1
InChIInChI=1S/C15H26N2O2/c1-4-9-17(5-2)10-8-16-12-13-6-7-14(18)15(11-13)19-3/h6-7,11,16,18H,4-5,8-10,12H2,1-3H3
InChIKeyLEPZVPYCXZTUNV-UHFFFAOYSA-N
XLogP2.22
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.22
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-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol
CID 82364248
2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol
CID 113247970
2-methoxy-4-[(nonylamino)methyl]phenol
CID 15788102
N-[(3-ethoxy-4-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17295740
4-[(4-hydroxybutylamino)methyl]-2-methoxyphenol
CID 106840868
N',N'-diethyl-N-[(4-hexoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54849213
tert-butyl N-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate
CID 103953303
2-methoxy-4-[(2-methylsulfonylethylamino)methyl]phenol
CID 54932020
2-methoxy-4-[(2-methylsulfinylethylamino)methyl]phenol
CID 115978630
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335720
4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol
CID 102999096
N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine
CID 62573632

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol (CID 103953654) is 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol is CCCN(CC)CCNCc1ccc(O)c(OC)c1.
What is the InChIKey of 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol?
The InChIKey is LEPZVPYCXZTUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-9-17(5-2)10-8-16-12-13-6-7-14(18)15(11-13)19-3/h6-7,11,16,18H,4-5,8-10,12H2,1-3H3.
What are the key properties of 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol?
4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol has a molecular weight of 266.38 g/mol, XLogP of 2.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 103953654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).