[1-(aminomethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanol

C15H21NO2 — CID 64510953

IUPAC[1-(aminomethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanol
SMILESCC1(C)Cc2cccc(C3CC3(CN)CO)c2O1
InChIInChI=1S/C15H21NO2/c1-14(2)6-10-4-3-5-11(13(10)18-14)12-7-15(12,8-16)9-17/h3-5,12,17H,6-9,16H2,1-2H3
InChIKeyCMYUPRXBBKXVKE-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.82
Rot. Bonds3

About [1-(aminomethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanol

[1-(aminomethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanol (PubChem CID 64510953) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [1-(aminomethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanol
PubChem CID64510953
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name[1-(aminomethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanol
SMILESCC1(C)Cc2cccc(C3CC3(CN)CO)c2O1
InChIInChI=1S/C15H21NO2/c1-14(2)6-10-4-3-5-11(13(10)18-14)12-7-15(12,8-16)9-17/h3-5,12,17H,6-9,16H2,1-2H3
InChIKeyCMYUPRXBBKXVKE-UHFFFAOYSA-N
XLogP1.82
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2S)-2-(5-prop-2-enoxy-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine
CID 146025684
(2S)-2-(Aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-pentanol
CID 15605604
(2R)-2-(Aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methyl-2-pentanol
CID 57615952
(2S,3R)-3-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-3-(trifluoromethyl)oxiran-2-amine
CID 59762619
(2R,3R)-3-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-3-(trifluoromethyl)oxiran-2-amine
CID 59762620
(2R)-2-(aminomethyl)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol
CID 59762622
2-(Aminomethyl)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol
CID 71072782
cis-(1S,2S)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]cyclopropan-1-amine
CID 71084504
(2R)-1-amino-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol
CID 71084507
3-[2-(5-Fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-3-(trifluoromethyl)oxiran-2-amine
CID 72555344
2-(Aminomethyl)-4-(2,3-dihydrobenzofuran-7-yl)-1,1,1-trifluoro-4-methyl-pentan-2-ol
CID 73199765
(2S)-3-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-3-(trifluoromethyl)oxiran-2-amine
CID 89250475

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanol?
The IUPAC name of [1-(aminomethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanol (CID 64510953) is [1-(aminomethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanol.
What is the SMILES notation for [1-(aminomethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanol?
The canonical SMILES for [1-(aminomethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanol is CC1(C)Cc2cccc(C3CC3(CN)CO)c2O1.
What is the InChIKey of [1-(aminomethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanol?
The InChIKey is CMYUPRXBBKXVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-14(2)6-10-4-3-5-11(13(10)18-14)12-7-15(12,8-16)9-17/h3-5,12,17H,6-9,16H2,1-2H3.
What are the key properties of [1-(aminomethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanol?
[1-(aminomethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanol has a molecular weight of 247.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanol is sourced from PubChem (CID 64510953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).