2-[(4-amino-3-methyldibenzofuran-1-yl)amino]ethanol

C15H16N2O2 — CID 68822637

IUPAC2-[(4-amino-3-methyldibenzofuran-1-yl)amino]ethanol
SMILESCc1cc(NCCO)c2c(oc3ccccc32)c1N
InChIInChI=1S/C15H16N2O2/c1-9-8-11(17-6-7-18)13-10-4-2-3-5-12(10)19-15(13)14(9)16/h2-5,8,17-18H,6-7,16H2,1H3
InChIKeyVQIOOYNEOUSCMP-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.88
Rot. Bonds3

About 2-[(4-amino-3-methyldibenzofuran-1-yl)amino]ethanol

2-[(4-amino-3-methyldibenzofuran-1-yl)amino]ethanol (PubChem CID 68822637) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[(4-amino-3-methyldibenzofuran-1-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-3-methyldibenzofuran-1-yl)amino]ethanol
PubChem CID68822637
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[(4-amino-3-methyldibenzofuran-1-yl)amino]ethanol
SMILESCc1cc(NCCO)c2c(oc3ccccc32)c1N
InChIInChI=1S/C15H16N2O2/c1-9-8-11(17-6-7-18)13-10-4-2-3-5-12(10)19-15(13)14(9)16/h2-5,8,17-18H,6-7,16H2,1H3
InChIKeyVQIOOYNEOUSCMP-UHFFFAOYSA-N
XLogP2.88
TPSA71.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-amino-2-methyldibenzofuran-4-yl)methylamino]ethanol
CID 86075075
3-methyldibenzofuran-1,4-diamine
CID 68822096
3-[(4-amino-3-methyldibenzofuran-1-yl)-methylamino]propane-1,2-diol
CID 68826676
11,23-dimethyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 144608278
1,3-di(propan-2-yl)dibenzofuran-4-amine
CID 58400957
aniline;2-[2-(2-hydroxyethylamino)anilino]ethanol;4-methylbenzene-1,3-diamine;hydrofluoride
CID 174968035
11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 123841957
2,4-bis(prop-1-en-2-yl)dibenzofuran-1-amine
CID 58401033
3-methoxydibenzofuran-1,4-diamine
CID 68825275
2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol
CID 3604273
2-(4-amino-2-methylanilino)ethanol;hydrate
CID 70505046
CID 142290538
CID 142290538

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methyldibenzofuran-1-yl)amino]ethanol?
The IUPAC name of 2-[(4-amino-3-methyldibenzofuran-1-yl)amino]ethanol (CID 68822637) is 2-[(4-amino-3-methyldibenzofuran-1-yl)amino]ethanol.
What is the SMILES notation for 2-[(4-amino-3-methyldibenzofuran-1-yl)amino]ethanol?
The canonical SMILES for 2-[(4-amino-3-methyldibenzofuran-1-yl)amino]ethanol is Cc1cc(NCCO)c2c(oc3ccccc32)c1N.
What is the InChIKey of 2-[(4-amino-3-methyldibenzofuran-1-yl)amino]ethanol?
The InChIKey is VQIOOYNEOUSCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-8-11(17-6-7-18)13-10-4-2-3-5-12(10)19-15(13)14(9)16/h2-5,8,17-18H,6-7,16H2,1H3.
What are the key properties of 2-[(4-amino-3-methyldibenzofuran-1-yl)amino]ethanol?
2-[(4-amino-3-methyldibenzofuran-1-yl)amino]ethanol has a molecular weight of 256.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methyldibenzofuran-1-yl)amino]ethanol is sourced from PubChem (CID 68822637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).