2-[1-[[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol

C15H20BrNO2 — CID 114750055

IUPAC2-[1-[[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNCc2cc(Br)cc3c2OCC3)CC1
InChIInChI=1S/C15H20BrNO2/c16-13-7-11-1-6-19-14(11)12(8-13)9-17-10-15(2-3-15)4-5-18/h7-8,17-18H,1-6,9-10H2
InChIKeyMFPGNPDCYUCNQI-UHFFFAOYSA-N
MW326.23 g/mol
LogP2.64
Rot. Bonds6

About 2-[1-[[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol

2-[1-[[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol (PubChem CID 114750055) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-[1-[[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol
PubChem CID114750055
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name2-[1-[[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol
SMILESOCCC1(CNCc2cc(Br)cc3c2OCC3)CC1
InChIInChI=1S/C15H20BrNO2/c16-13-7-11-1-6-19-14(11)12(8-13)9-17-10-15(2-3-15)4-5-18/h7-8,17-18H,1-6,9-10H2
InChIKeyMFPGNPDCYUCNQI-UHFFFAOYSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol with MolForge

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Related Compounds

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine
CID 113403702
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-cycloheptylmethanamine
CID 104702152
3-[[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]cyclobutan-1-ol
CID 113403290
4-bromo-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]butan-1-amine
CID 106844878
4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]butan-2-ol
CID 113403288
3-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 104702462
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]-2,2-diethoxyethanamine
CID 104702398
2-[4-[[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]triazol-1-yl]ethanol
CID 104702290
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102837382
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-ethylsulfinylethanamine
CID 104754347
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylsulfanylpropan-1-amine
CID 113449648

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol (CID 114750055) is 2-[1-[[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol is OCCC1(CNCc2cc(Br)cc3c2OCC3)CC1.
What is the InChIKey of 2-[1-[[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol?
The InChIKey is MFPGNPDCYUCNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c16-13-7-11-1-6-19-14(11)12(8-13)9-17-10-15(2-3-15)4-5-18/h7-8,17-18H,1-6,9-10H2.
What are the key properties of 2-[1-[[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol?
2-[1-[[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol has a molecular weight of 326.23 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114750055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).