2-[(2-benzyl-5-methyl-1-benzofuran-6-yl)methylamino]ethanol

C19H21NO2 — CID 177266908

IUPAC2-[(2-benzyl-5-methyl-1-benzofuran-6-yl)methylamino]ethanol
SMILESCc1cc2cc(Cc3ccccc3)oc2cc1CNCCO
InChIInChI=1S/C19H21NO2/c1-14-9-16-11-18(10-15-5-3-2-4-6-15)22-19(16)12-17(14)13-20-7-8-21/h2-6,9,11-12,20-21H,7-8,10,13H2,1H3
InChIKeyBOEMCQWYTKYQGY-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.41
Rot. Bonds6

About 2-[(2-benzyl-5-methyl-1-benzofuran-6-yl)methylamino]ethanol

2-[(2-benzyl-5-methyl-1-benzofuran-6-yl)methylamino]ethanol (PubChem CID 177266908) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[(2-benzyl-5-methyl-1-benzofuran-6-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(2-benzyl-5-methyl-1-benzofuran-6-yl)methylamino]ethanol
PubChem CID177266908
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-[(2-benzyl-5-methyl-1-benzofuran-6-yl)methylamino]ethanol
SMILESCc1cc2cc(Cc3ccccc3)oc2cc1CNCCO
InChIInChI=1S/C19H21NO2/c1-14-9-16-11-18(10-15-5-3-2-4-6-15)22-19(16)12-17(14)13-20-7-8-21/h2-6,9,11-12,20-21H,7-8,10,13H2,1H3
InChIKeyBOEMCQWYTKYQGY-UHFFFAOYSA-N
XLogP3.41
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]ethyl]benzoic acid
CID 167945324
2-benzyl-5,7-dimethyl-1-benzofuran
CID 132609124
2-[(1-amino-2-methyldibenzofuran-4-yl)methylamino]ethanol
CID 86075075
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
2-(2-hydroxyethylamino)ethanol;1,2-xylene
CID 174810256
[1-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol
CID 111778122
3-[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]butan-1-ol
CID 111778112
N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 28618146
N-methyl-1-(3-methylnaphthalen-2-yl)methanamine
CID 90797277
2-[(benzylamino)methylamino]ethanol
CID 57472463
3-phenyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine
CID 63462579
(2-benzyl-7-bromo-1-benzofuran-5-yl)methanol
CID 139561217

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzyl-5-methyl-1-benzofuran-6-yl)methylamino]ethanol?
The IUPAC name of 2-[(2-benzyl-5-methyl-1-benzofuran-6-yl)methylamino]ethanol (CID 177266908) is 2-[(2-benzyl-5-methyl-1-benzofuran-6-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(2-benzyl-5-methyl-1-benzofuran-6-yl)methylamino]ethanol?
The canonical SMILES for 2-[(2-benzyl-5-methyl-1-benzofuran-6-yl)methylamino]ethanol is Cc1cc2cc(Cc3ccccc3)oc2cc1CNCCO.
What is the InChIKey of 2-[(2-benzyl-5-methyl-1-benzofuran-6-yl)methylamino]ethanol?
The InChIKey is BOEMCQWYTKYQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14-9-16-11-18(10-15-5-3-2-4-6-15)22-19(16)12-17(14)13-20-7-8-21/h2-6,9,11-12,20-21H,7-8,10,13H2,1H3.
What are the key properties of 2-[(2-benzyl-5-methyl-1-benzofuran-6-yl)methylamino]ethanol?
2-[(2-benzyl-5-methyl-1-benzofuran-6-yl)methylamino]ethanol has a molecular weight of 295.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzyl-5-methyl-1-benzofuran-6-yl)methylamino]ethanol is sourced from PubChem (CID 177266908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).