[2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]cyclopentyl]methanol

C15H20BrNO2 — CID 104756185

IUPAC[2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]cyclopentyl]methanol
SMILESOCC1CCCC1NCc1cc(Br)cc2c1OCC2
InChIInChI=1S/C15H20BrNO2/c16-13-6-10-4-5-19-15(10)12(7-13)8-17-14-3-1-2-11(14)9-18/h6-7,11,14,17-18H,1-5,8-9H2
InChIKeyFYGWCIXBDJEIQB-UHFFFAOYSA-N
MW326.23 g/mol
LogP2.63
Rot. Bonds4

About [2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]cyclopentyl]methanol

[2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]cyclopentyl]methanol (PubChem CID 104756185) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is [2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]cyclopentyl]methanol
PubChem CID104756185
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name[2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]cyclopentyl]methanol
SMILESOCC1CCCC1NCc1cc(Br)cc2c1OCC2
InChIInChI=1S/C15H20BrNO2/c16-13-6-10-4-5-19-15(10)12(7-13)8-17-14-3-1-2-11(14)9-18/h6-7,11,14,17-18H,1-5,8-9H2
InChIKeyFYGWCIXBDJEIQB-UHFFFAOYSA-N
XLogP2.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclohexan-1-amine
CID 104702080
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 104756373
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-cycloheptylmethanamine
CID 104702152
[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclopentyl]methanol
CID 103700403
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(chloromethyl)cyclohexan-1-amine
CID 106365169
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 104702727
2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl-cyclobutylamino]ethanol
CID 102679435
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(thian-4-yl)methanamine
CID 104754801
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 104756798
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-cyclohexylurea
CID 104702895
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 104702264
1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 115796953

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]cyclopentyl]methanol?
The IUPAC name of [2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]cyclopentyl]methanol (CID 104756185) is [2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]cyclopentyl]methanol is OCC1CCCC1NCc1cc(Br)cc2c1OCC2.
What is the InChIKey of [2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]cyclopentyl]methanol?
The InChIKey is FYGWCIXBDJEIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c16-13-6-10-4-5-19-15(10)12(7-13)8-17-14-3-1-2-11(14)9-18/h6-7,11,14,17-18H,1-5,8-9H2.
What are the key properties of [2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]cyclopentyl]methanol?
[2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]cyclopentyl]methanol has a molecular weight of 326.23 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 104756185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).