[4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol

C18H19NO2 — CID 107230098

IUPAC[4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol
SMILESCc1oc2ccccc2c1CNCc1ccc(CO)cc1
InChIInChI=1S/C18H19NO2/c1-13-17(16-4-2-3-5-18(16)21-13)11-19-10-14-6-8-15(12-20)9-7-14/h2-9,19-20H,10-12H2,1H3
InChIKeyNJSMAFFWKJYRMU-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.52
Rot. Bonds5

About [4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol

[4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol (PubChem CID 107230098) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol
PubChem CID107230098
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name[4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol
SMILESCc1oc2ccccc2c1CNCc1ccc(CO)cc1
InChIInChI=1S/C18H19NO2/c1-13-17(16-4-2-3-5-18(16)21-13)11-19-10-14-6-8-15(12-20)9-7-14/h2-9,19-20H,10-12H2,1H3
InChIKeyNJSMAFFWKJYRMU-UHFFFAOYSA-N
XLogP3.52
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol with MolForge

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Related Compounds

6-[(2-methyl-1-benzofuran-3-yl)methylamino]hexan-1-ol
CID 103924069
3-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]benzoic acid
CID 167810781
2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 113462728
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115774534
4,4-dimethyl-5-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-1-ol
CID 103897611
3-methyl-3-[(2-methyl-1-benzofuran-3-yl)methylamino]butan-1-ol
CID 115907355
4,4-dimethyl-1-[(2-methyl-1-benzofuran-3-yl)methylamino]pentan-2-ol
CID 103859112
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine
CID 114955011
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine
CID 82731871
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine
CID 103859199
4-methyl-2-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]pentanoic acid
CID 122073193
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyl-1-benzofuran-3-yl)methyl]methanamine
CID 167842382

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol (CID 107230098) is [4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol is Cc1oc2ccccc2c1CNCc1ccc(CO)cc1.
What is the InChIKey of [4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol?
The InChIKey is NJSMAFFWKJYRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-17(16-4-2-3-5-18(16)21-13)11-19-10-14-6-8-15(12-20)9-7-14/h2-9,19-20H,10-12H2,1H3.
What are the key properties of [4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol?
[4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol has a molecular weight of 281.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 107230098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).