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

C16H18N2O2 — CID 86075075

IUPAC2-[(1-amino-2-methyldibenzofuran-4-yl)methylamino]ethanol
SMILESCc1cc(CNCCO)c2oc3ccccc3c2c1N
InChIInChI=1S/C16H18N2O2/c1-10-8-11(9-18-6-7-19)16-14(15(10)17)12-4-2-3-5-13(12)20-16/h2-5,8,18-19H,6-7,9,17H2,1H3
InChIKeyFHZCANBFQFCQIS-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.56
Rot. Bonds4

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

2-[(1-amino-2-methyldibenzofuran-4-yl)methylamino]ethanol (PubChem CID 86075075) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[(1-amino-2-methyldibenzofuran-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(1-amino-2-methyldibenzofuran-4-yl)methylamino]ethanol
PubChem CID86075075
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[(1-amino-2-methyldibenzofuran-4-yl)methylamino]ethanol
SMILESCc1cc(CNCCO)c2oc3ccccc3c2c1N
InChIInChI=1S/C16H18N2O2/c1-10-8-11(9-18-6-7-19)16-14(15(10)17)12-4-2-3-5-13(12)20-16/h2-5,8,18-19H,6-7,9,17H2,1H3
InChIKeyFHZCANBFQFCQIS-UHFFFAOYSA-N
XLogP2.56
TPSA71.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-amino-3-methyldibenzofuran-1-yl)amino]ethanol
CID 68822637
3-methyldibenzofuran-1,4-diamine
CID 68822096
2-[(4-amino-9H-carbazol-1-yl)methylamino]ethanol
CID 86074946
3-[(4-amino-3-methyldibenzofuran-1-yl)-methylamino]propane-1,2-diol
CID 68826676
2,4-bis(prop-1-en-2-yl)dibenzofuran-1-amine
CID 58401033
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
2-[(2-benzyl-5-methyl-1-benzofuran-6-yl)methylamino]ethanol
CID 177266908
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
6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol
CID 103924069
2,4-di(propan-2-yl)dibenzofuran-1-amine;ethane
CID 144650095
2-(2-hydroxyethylamino)ethanol;1,2-xylene
CID 174810256
2-[(4-amino-9-methylcarbazol-1-yl)methylamino]ethanol
CID 86074973

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-methyldibenzofuran-4-yl)methylamino]ethanol?
The IUPAC name of 2-[(1-amino-2-methyldibenzofuran-4-yl)methylamino]ethanol (CID 86075075) is 2-[(1-amino-2-methyldibenzofuran-4-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(1-amino-2-methyldibenzofuran-4-yl)methylamino]ethanol?
The canonical SMILES for 2-[(1-amino-2-methyldibenzofuran-4-yl)methylamino]ethanol is Cc1cc(CNCCO)c2oc3ccccc3c2c1N.
What is the InChIKey of 2-[(1-amino-2-methyldibenzofuran-4-yl)methylamino]ethanol?
The InChIKey is FHZCANBFQFCQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-8-11(9-18-6-7-19)16-14(15(10)17)12-4-2-3-5-13(12)20-16/h2-5,8,18-19H,6-7,9,17H2,1H3.
What are the key properties of 2-[(1-amino-2-methyldibenzofuran-4-yl)methylamino]ethanol?
2-[(1-amino-2-methyldibenzofuran-4-yl)methylamino]ethanol has a molecular weight of 270.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-methyldibenzofuran-4-yl)methylamino]ethanol is sourced from PubChem (CID 86075075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).