4-(2-aminoethyl)benzene-1,2-diol;methane

C10H19NO2 — CID 175755753

IUPAC4-(2-aminoethyl)benzene-1,2-diol;methane
SMILESC.C.NCCc1ccc(O)c(O)c1
InChIInChI=1S/C8H11NO2.2CH4/c9-4-3-6-1-2-7(10)8(11)5-6;;/h1-2,5,10-11H,3-4,9H2;2*1H4
InChIKeyIZPIJCPYJNXEIJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.87
Rot. Bonds2

About 4-(2-aminoethyl)benzene-1,2-diol;methane

4-(2-aminoethyl)benzene-1,2-diol;methane (PubChem CID 175755753) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(2-aminoethyl)benzene-1,2-diol;methane.

Molecular Properties

Compound Name4-(2-aminoethyl)benzene-1,2-diol;methane
PubChem CID175755753
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-(2-aminoethyl)benzene-1,2-diol;methane
SMILESC.C.NCCc1ccc(O)c(O)c1
InChIInChI=1S/C8H11NO2.2CH4/c9-4-3-6-1-2-7(10)8(11)5-6;;/h1-2,5,10-11H,3-4,9H2;2*1H4
InChIKeyIZPIJCPYJNXEIJ-UHFFFAOYSA-N
XLogP1.87
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminoethyl)benzene-1,2-diol;nickel
CID 175198518
CID 159860777
CID 159860777
strontium;4-(2-aminoethyl)benzene-1,2-diol;hydride
CID 174942711
4-(2-aminoethyl)benzene-1,2-diol;piperazine
CID 174812852
4-[2-(tritioamino)ethyl]benzene-1,2-diol
CID 54417146
4-(2-aminoethyl)benzene-1,2-diol;2-hydroxyethyl(trimethyl)azanium
CID 174847471
4-(2-amino-2,2-dideuterioethyl)benzene-1,2-diol;hydrochloride
CID 90477542
4-(2-aminoethyl)-2-(aminomethyl)phenol
CID 105433039
4-(2-aminoethyl)-2-tert-butylphenol
CID 82263790
4-(2-aminoethyl)benzene-1,2-diol;ethane-1,2-diol;prop-2-enoic acid
CID 174886468
4-(2-aminoethyl)-2-chlorophenol;hydrobromide
CID 67045103
4-(2-aminoethyl)benzene-1,2-diol;N-[2-(3,4-dihydroxyphenyl)ethyl]prop-2-enamide
CID 175123795

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)benzene-1,2-diol;methane?
The IUPAC name of 4-(2-aminoethyl)benzene-1,2-diol;methane (CID 175755753) is 4-(2-aminoethyl)benzene-1,2-diol;methane.
What is the SMILES notation for 4-(2-aminoethyl)benzene-1,2-diol;methane?
The canonical SMILES for 4-(2-aminoethyl)benzene-1,2-diol;methane is C.C.NCCc1ccc(O)c(O)c1.
What is the InChIKey of 4-(2-aminoethyl)benzene-1,2-diol;methane?
The InChIKey is IZPIJCPYJNXEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.2CH4/c9-4-3-6-1-2-7(10)8(11)5-6;;/h1-2,5,10-11H,3-4,9H2;2*1H4.
What are the key properties of 4-(2-aminoethyl)benzene-1,2-diol;methane?
4-(2-aminoethyl)benzene-1,2-diol;methane has a molecular weight of 185.27 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)benzene-1,2-diol;methane is sourced from PubChem (CID 175755753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).