2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol

C14H24N2O2 — CID 43195776

IUPAC2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)NCCCN(C)C)c1
InChIInChI=1S/C14H24N2O2/c1-11(15-8-5-9-16(2)3)13-10-12(18-4)6-7-14(13)17/h6-7,10-11,15,17H,5,8-9H2,1-4H3
InChIKeyFLSQYUPENBGYDE-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.00
Rot. Bonds7

About 2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol

2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol (PubChem CID 43195776) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol
PubChem CID43195776
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)NCCCN(C)C)c1
InChIInChI=1S/C14H24N2O2/c1-11(15-8-5-9-16(2)3)13-10-12(18-4)6-7-14(13)17/h6-7,10-11,15,17H,5,8-9H2,1-4H3
InChIKeyFLSQYUPENBGYDE-UHFFFAOYSA-N
XLogP2.00
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol
CID 16775145
2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol
CID 60889873
N-[1-(2,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776970
2-[1-[2-(3-hydroxypropylsulfanyl)ethylamino]ethyl]-4-methoxyphenol
CID 104582333
2-[1-(2-ethylsulfonylethylamino)ethyl]-4-methoxyphenol
CID 104582220
2-[1-[2-(4-hydroxyphenyl)ethylamino]ethyl]-4-methoxyphenol
CID 61237640
4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol
CID 104581681
4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol
CID 43189507
2-[1-(but-2-ynylamino)ethyl]-4-methoxyphenol
CID 115900748
2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol
CID 107303120
2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-4-methoxyphenol
CID 43110122
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol?
The IUPAC name of 2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol (CID 43195776) is 2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol?
The canonical SMILES for 2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol is COc1ccc(O)c(C(C)NCCCN(C)C)c1.
What is the InChIKey of 2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol?
The InChIKey is FLSQYUPENBGYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(15-8-5-9-16(2)3)13-10-12(18-4)6-7-14(13)17/h6-7,10-11,15,17H,5,8-9H2,1-4H3.
What are the key properties of 2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol?
2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol has a molecular weight of 252.36 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol is sourced from PubChem (CID 43195776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).