[1-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol

C16H21NO2 — CID 111778122

IUPAC[1-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol
SMILESCc1cc2cc(CNCC3(CO)CC3)oc2cc1C
InChIInChI=1S/C16H21NO2/c1-11-5-13-7-14(19-15(13)6-12(11)2)8-17-9-16(10-18)3-4-16/h5-7,17-18H,3-4,8-10H2,1-2H3
InChIKeyVYOTXZYFWUBHPL-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.91
Rot. Bonds5

About [1-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol

[1-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol (PubChem CID 111778122) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is [1-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol
PubChem CID111778122
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name[1-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol
SMILESCc1cc2cc(CNCC3(CO)CC3)oc2cc1C
InChIInChI=1S/C16H21NO2/c1-11-5-13-7-14(19-15(13)6-12(11)2)8-17-9-16(10-18)3-4-16/h5-7,17-18H,3-4,8-10H2,1-2H3
InChIKeyVYOTXZYFWUBHPL-UHFFFAOYSA-N
XLogP2.91
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[(5-fluoro-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol
CID 111579350
4-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]thian-4-ol
CID 111778111
[1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 115243454
2-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]-2-ethylbutanoic acid
CID 122128947
N-[(5,6-dimethyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 115677897
[1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246948
3-[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]butan-1-ol
CID 111778112
methyl 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-2-methylfuran-3-carboxylate
CID 115358697
[1-[[2-(3,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243618
[1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclopropyl]methanol
CID 115243693
3-[2-[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]ethyl]benzoic acid
CID 167945324
[1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246983

Frequently Asked Questions

What is the IUPAC name of [1-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol (CID 111778122) is [1-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol is Cc1cc2cc(CNCC3(CO)CC3)oc2cc1C.
What is the InChIKey of [1-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol?
The InChIKey is VYOTXZYFWUBHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11-5-13-7-14(19-15(13)6-12(11)2)8-17-9-16(10-18)3-4-16/h5-7,17-18H,3-4,8-10H2,1-2H3.
What are the key properties of [1-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol?
[1-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol has a molecular weight of 259.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 111778122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).