(3-chloro-1-benzofuran-2-yl)methanamine

C9H8ClNO — CID 83817093

IUPAC(3-chloro-1-benzofuran-2-yl)methanamine
SMILESNCc1oc2ccccc2c1Cl
InChIInChI=1S/C9H8ClNO/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-4H,5,11H2
InChIKeyNATDHXYYBNGJCI-UHFFFAOYSA-N
MW181.62 g/mol
LogP2.54
Rot. Bonds1

About (3-chloro-1-benzofuran-2-yl)methanamine

(3-chloro-1-benzofuran-2-yl)methanamine (PubChem CID 83817093) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is (3-chloro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-1-benzofuran-2-yl)methanamine
PubChem CID83817093
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name(3-chloro-1-benzofuran-2-yl)methanamine
SMILESNCc1oc2ccccc2c1Cl
InChIInChI=1S/C9H8ClNO/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-4H,5,11H2
InChIKeyNATDHXYYBNGJCI-UHFFFAOYSA-N
XLogP2.54
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (3-chloro-1-benzofuran-2-yl)methanamine (CID 83817093) is (3-chloro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (3-chloro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (3-chloro-1-benzofuran-2-yl)methanamine is NCc1oc2ccccc2c1Cl.
What is the InChIKey of (3-chloro-1-benzofuran-2-yl)methanamine?
The InChIKey is NATDHXYYBNGJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-4H,5,11H2.
What are the key properties of (3-chloro-1-benzofuran-2-yl)methanamine?
(3-chloro-1-benzofuran-2-yl)methanamine has a molecular weight of 181.62 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 83817093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).