2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol

C12H17NO2 — CID 66359994

IUPAC2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol
SMILESCc1ccc2c(c1)CC(CNCCO)O2
InChIInChI=1S/C12H17NO2/c1-9-2-3-12-10(6-9)7-11(15-12)8-13-4-5-14/h2-3,6,11,13-14H,4-5,7-8H2,1H3
InChIKeyCGAACYUSGSDNCU-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.88
Rot. Bonds4

About 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol

2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol (PubChem CID 66359994) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol
PubChem CID66359994
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol
SMILESCc1ccc2c(c1)CC(CNCCO)O2
InChIInChI=1S/C12H17NO2/c1-9-2-3-12-10(6-9)7-11(15-12)8-13-4-5-14/h2-3,6,11,13-14H,4-5,7-8H2,1H3
InChIKeyCGAACYUSGSDNCU-UHFFFAOYSA-N
XLogP0.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.88
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

4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]butan-1-ol
CID 106841886
N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,3-diamine
CID 66360006
3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]propanamide
CID 66361152
N',N'-diethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,3-diamine
CID 66361145
N'-ethyl-N'-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 66361548
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine
CID 66360372
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
3-[[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]hexan-1-ol
CID 106115486
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106429606
5-chloro-4-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-1-amine
CID 106153636
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 66361339
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 106416267

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol?
The IUPAC name of 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol (CID 66359994) is 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol?
The canonical SMILES for 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol is Cc1ccc2c(c1)CC(CNCCO)O2.
What is the InChIKey of 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol?
The InChIKey is CGAACYUSGSDNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-2-3-12-10(6-9)7-11(15-12)8-13-4-5-14/h2-3,6,11,13-14H,4-5,7-8H2,1H3.
What are the key properties of 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol?
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol has a molecular weight of 207.27 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol is sourced from PubChem (CID 66359994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).