2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol

C12H20N2O2 — CID 60889873

IUPAC2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)NCCCN)c1
InChIInChI=1S/C12H20N2O2/c1-9(14-7-3-6-13)11-8-10(16-2)4-5-12(11)15/h4-5,8-9,14-15H,3,6-7,13H2,1-2H3
InChIKeySBQGQEOEEZFKNB-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.40
Rot. Bonds6

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

2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol (PubChem CID 60889873) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol
PubChem CID60889873
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)NCCCN)c1
InChIInChI=1S/C12H20N2O2/c1-9(14-7-3-6-13)11-8-10(16-2)4-5-12(11)15/h4-5,8-9,14-15H,3,6-7,13H2,1-2H3
InChIKeySBQGQEOEEZFKNB-UHFFFAOYSA-N
XLogP1.40
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.40
H-Bond Donors ≤ 53
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-(4-aminobutylamino)ethyl]-5-methoxyphenol
CID 60893810
2-[1-[3-(dimethylamino)propylamino]ethyl]-4-methoxyphenol
CID 43195776
N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 60894649
2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol
CID 16775145
2-[1-(2-ethylsulfonylethylamino)ethyl]-4-methoxyphenol
CID 104582220
2-[1-[2-(4-chlorophenyl)ethylamino]ethyl]-4-methoxyphenol
CID 43110122
2-[1-[2-(4-hydroxyphenyl)ethylamino]ethyl]-4-methoxyphenol
CID 61237640
2-[1-[2-(3-hydroxypropylsulfanyl)ethylamino]ethyl]-4-methoxyphenol
CID 104582333
4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol
CID 43189507
2-[1-(but-2-ynylamino)ethyl]-4-methoxyphenol
CID 115900748
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol?
The IUPAC name of 2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol (CID 60889873) is 2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol?
The canonical SMILES for 2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol is COc1ccc(O)c(C(C)NCCCN)c1.
What is the InChIKey of 2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol?
The InChIKey is SBQGQEOEEZFKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(14-7-3-6-13)11-8-10(16-2)4-5-12(11)15/h4-5,8-9,14-15H,3,6-7,13H2,1-2H3.
What are the key properties of 2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol?
2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol has a molecular weight of 224.30 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol is sourced from PubChem (CID 60889873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).