3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol

Name: 3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₇NO₂ — CID 82976511

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol

SMILESCC(C)N(C)C1COc2cc(O)ccc21

InChIInChI=1S/C12H17NO2/c1-8(2)13(3)11-7-15-12-6-9(14)4-5-10(11)12/h4-6,8,11,14H,7H2,1-3H3

InChIKeyUMDQMVCEXJITAU-UHFFFAOYSA-N

MW207.27 g/mol

LogP2.17

Rot. Bonds2

About 3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol

3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 82976511) has the molecular formula C₁₂H₁₇NO₂ and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name	3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID	82976511
Molecular Formula	C₁₂H₁₇NO₂
Molecular Weight	207.27 g/mol
Exact Mass	207.13
IUPAC Name	3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol
SMILES	CC(C)N(C)C1COc2cc(O)ccc21
InChI	InChI=1S/C12H17NO2/c1-8(2)13(3)11-7-15-12-6-9(14)4-5-10(11)12/h4-6,8,11,14H,7H2,1-3H3
InChIKey	UMDQMVCEXJITAU-UHFFFAOYSA-N
XLogP	2.17
TPSA	32.70 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	207.27
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol?

The IUPAC name of 3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol (CID 82976511) is 3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol.

What is the SMILES notation for 3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol?

The canonical SMILES for 3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol is CC(C)N(C)C1COc2cc(O)ccc21.

What is the InChIKey of 3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol?

The InChIKey is UMDQMVCEXJITAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(2)13(3)11-7-15-12-6-9(14)4-5-10(11)12/h4-6,8,11,14H,7H2,1-3H3.

What are the key properties of 3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol?

3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 207.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[methyl(propan-2-yl)amino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 82976511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 82976511 — identifiers, structure, computed properties (public domain)

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