(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-5-yl)methanamine

C9H12ClNO — CID 83915248

IUPAC(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-5-yl)methanamine
SMILESNCC1CCc2oc(Cl)cc2C1
InChIInChI=1S/C9H12ClNO/c10-9-4-7-3-6(5-11)1-2-8(7)12-9/h4,6H,1-3,5,11H2
InChIKeyJADNVDCWMFKKQI-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.00
Rot. Bonds1

About (2-chloro-4,5,6,7-tetrahydro-1-benzofuran-5-yl)methanamine

(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-5-yl)methanamine (PubChem CID 83915248) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is (2-chloro-4,5,6,7-tetrahydro-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-5-yl)methanamine
PubChem CID83915248
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-5-yl)methanamine
SMILESNCC1CCc2oc(Cl)cc2C1
InChIInChI=1S/C9H12ClNO/c10-9-4-7-3-6(5-11)1-2-8(7)12-9/h4,6H,1-3,5,11H2
InChIKeyJADNVDCWMFKKQI-UHFFFAOYSA-N
XLogP2.00
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5,6,7-tetrahydro-1-benzofuran-5-yl)methanamine?
The IUPAC name of (2-chloro-4,5,6,7-tetrahydro-1-benzofuran-5-yl)methanamine (CID 83915248) is (2-chloro-4,5,6,7-tetrahydro-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for (2-chloro-4,5,6,7-tetrahydro-1-benzofuran-5-yl)methanamine?
The canonical SMILES for (2-chloro-4,5,6,7-tetrahydro-1-benzofuran-5-yl)methanamine is NCC1CCc2oc(Cl)cc2C1.
What is the InChIKey of (2-chloro-4,5,6,7-tetrahydro-1-benzofuran-5-yl)methanamine?
The InChIKey is JADNVDCWMFKKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c10-9-4-7-3-6(5-11)1-2-8(7)12-9/h4,6H,1-3,5,11H2.
What are the key properties of (2-chloro-4,5,6,7-tetrahydro-1-benzofuran-5-yl)methanamine?
(2-chloro-4,5,6,7-tetrahydro-1-benzofuran-5-yl)methanamine has a molecular weight of 185.65 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5,6,7-tetrahydro-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 83915248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).