[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methanamine

C15H20BrNO — CID 117495214

IUPAC[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methanamine
SMILESNCC1(c2cc(Br)cc3c2OCC3)CCCCC1
InChIInChI=1S/C15H20BrNO/c16-12-8-11-4-7-18-14(11)13(9-12)15(10-17)5-2-1-3-6-15/h8-9H,1-7,10,17H2
InChIKeyLHVFKVZDIIBTJY-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.54
Rot. Bonds2

About [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methanamine

[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methanamine (PubChem CID 117495214) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methanamine
PubChem CID117495214
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methanamine
SMILESNCC1(c2cc(Br)cc3c2OCC3)CCCCC1
InChIInChI=1S/C15H20BrNO/c16-12-8-11-4-7-18-14(11)13(9-12)15(10-17)5-2-1-3-6-15/h8-9H,1-7,10,17H2
InChIKeyLHVFKVZDIIBTJY-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117418736
[1-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117366230
[1-(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)cyclopentyl]methanamine
CID 82622946
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methoxycyclohexyl)ethanone
CID 116748158
[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopentyl]methanamine
CID 117371080
[1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine
CID 117497247
1-(1-aminocyclobutyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 116598634
8-[1-(aminomethyl)cyclopropyl]-6-bromo-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde
CID 117496828
(E)-3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine
CID 117388100
[1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclohexyl]methanamine
CID 117413291
[1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclobutyl]methanamine
CID 117496977
[1-(4-bromo-1,3-benzodioxol-5-yl)cyclohexyl]methanamine
CID 117497241

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methanamine (CID 117495214) is [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methanamine is NCC1(c2cc(Br)cc3c2OCC3)CCCCC1.
What is the InChIKey of [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methanamine?
The InChIKey is LHVFKVZDIIBTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-12-8-11-4-7-18-14(11)13(9-12)15(10-17)5-2-1-3-6-15/h8-9H,1-7,10,17H2.
What are the key properties of [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methanamine?
[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methanamine has a molecular weight of 310.24 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methanamine is sourced from PubChem (CID 117495214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).