3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]cyclobutan-1-amine

C13H16ClNO2 — CID 113403353

IUPAC3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]cyclobutan-1-amine
SMILESNC1CC(OCc2cc(Cl)cc3c2OCC3)C1
InChIInChI=1S/C13H16ClNO2/c14-10-3-8-1-2-16-13(8)9(4-10)7-17-12-5-11(15)6-12/h3-4,11-12H,1-2,5-7,15H2
InChIKeyJGNUIDILZWZTHU-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.28
Rot. Bonds3

About 3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]cyclobutan-1-amine

3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]cyclobutan-1-amine (PubChem CID 113403353) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]cyclobutan-1-amine
PubChem CID113403353
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]cyclobutan-1-amine
SMILESNC1CC(OCc2cc(Cl)cc3c2OCC3)C1
InChIInChI=1S/C13H16ClNO2/c14-10-3-8-1-2-16-13(8)9(4-10)7-17-12-5-11(15)6-12/h3-4,11-12H,1-2,5-7,15H2
InChIKeyJGNUIDILZWZTHU-UHFFFAOYSA-N
XLogP2.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]-trifluoroboranuide
CID 113403343
1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine
CID 105499911
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine
CID 105031505
[2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]-5-fluorophenyl]methanamine
CID 107694893
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103162590
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
(3R,4S)-1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidine-3,4-diol
CID 113383744
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine
CID 113403553
1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-(chloromethyl)piperidine
CID 113403675
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine
CID 105031486
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 116575981
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethyl]hydrazine
CID 105204339

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]cyclobutan-1-amine?
The IUPAC name of 3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]cyclobutan-1-amine (CID 113403353) is 3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]cyclobutan-1-amine.
What is the SMILES notation for 3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]cyclobutan-1-amine?
The canonical SMILES for 3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]cyclobutan-1-amine is NC1CC(OCc2cc(Cl)cc3c2OCC3)C1.
What is the InChIKey of 3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]cyclobutan-1-amine?
The InChIKey is JGNUIDILZWZTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-10-3-8-1-2-16-13(8)9(4-10)7-17-12-5-11(15)6-12/h3-4,11-12H,1-2,5-7,15H2.
What are the key properties of 3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]cyclobutan-1-amine?
3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]cyclobutan-1-amine has a molecular weight of 253.73 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]cyclobutan-1-amine is sourced from PubChem (CID 113403353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).