4-[1-(3-aminopropylamino)ethyl]phenol

C11H18N2O — CID 60889322

IUPAC4-[1-(3-aminopropylamino)ethyl]phenol
SMILESCC(NCCCN)c1ccc(O)cc1
InChIInChI=1S/C11H18N2O/c1-9(13-8-2-7-12)10-3-5-11(14)6-4-10/h3-6,9,13-14H,2,7-8,12H2,1H3
InChIKeyXQXREQFQJJKOHZ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.39
Rot. Bonds5

About 4-[1-(3-aminopropylamino)ethyl]phenol

4-[1-(3-aminopropylamino)ethyl]phenol (PubChem CID 60889322) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-[1-(3-aminopropylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(3-aminopropylamino)ethyl]phenol
PubChem CID60889322
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-[1-(3-aminopropylamino)ethyl]phenol
SMILESCC(NCCCN)c1ccc(O)cc1
InChIInChI=1S/C11H18N2O/c1-9(13-8-2-7-12)10-3-5-11(14)6-4-10/h3-6,9,13-14H,2,7-8,12H2,1H3
InChIKeyXQXREQFQJJKOHZ-UHFFFAOYSA-N
XLogP1.39
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2-aminoethylamino)ethyl]phenol
CID 60887563
N'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine
CID 60889323
5-[1-(4-aminobutylamino)ethyl]benzene-1,3-diol
CID 107706031
N'-[1-[4-(dimethylamino)phenyl]ethyl]propane-1,3-diamine
CID 60893556
N'-[1-(4-methylsulfanylphenyl)ethyl]propane-1,3-diamine
CID 60890077
4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
CID 60890115
4-[1-(3-propoxypropylamino)ethyl]phenol
CID 82941450
2-[4-[1-(3-aminopropylamino)ethyl]phenoxy]acetonitrile
CID 55021387
4-[1-[2-(3-hydroxypropylsulfanyl)ethylamino]ethyl]phenol
CID 106309503
N'-[1-(3,4-dimethoxyphenyl)ethyl]propane-1,3-diamine
CID 60890070
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol
CID 28714593
N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diamine
CID 60889722

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-aminopropylamino)ethyl]phenol?
The IUPAC name of 4-[1-(3-aminopropylamino)ethyl]phenol (CID 60889322) is 4-[1-(3-aminopropylamino)ethyl]phenol.
What is the SMILES notation for 4-[1-(3-aminopropylamino)ethyl]phenol?
The canonical SMILES for 4-[1-(3-aminopropylamino)ethyl]phenol is CC(NCCCN)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(3-aminopropylamino)ethyl]phenol?
The InChIKey is XQXREQFQJJKOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(13-8-2-7-12)10-3-5-11(14)6-4-10/h3-6,9,13-14H,2,7-8,12H2,1H3.
What are the key properties of 4-[1-(3-aminopropylamino)ethyl]phenol?
4-[1-(3-aminopropylamino)ethyl]phenol has a molecular weight of 194.28 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-aminopropylamino)ethyl]phenol is sourced from PubChem (CID 60889322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).