(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine;hydrochloride

C9H11Cl2NO — CID 75452401

IUPAC(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine;hydrochloride
SMILESCl.NCc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C9H10ClNO.ClH/c10-8-3-6-1-2-12-9(6)7(4-8)5-11;/h3-4H,1-2,5,11H2;1H
InChIKeyHLQCYVNUXXJHFG-UHFFFAOYSA-N
MW220.10 g/mol
LogP2.16
Rot. Bonds1

About (5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine;hydrochloride

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine;hydrochloride (PubChem CID 75452401) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine;hydrochloride
PubChem CID75452401
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine;hydrochloride
SMILESCl.NCc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C9H10ClNO.ClH/c10-8-3-6-1-2-12-9(6)7(4-8)5-11;/h3-4H,1-2,5,11H2;1H
InChIKeyHLQCYVNUXXJHFG-UHFFFAOYSA-N
XLogP2.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine;hydrochloride?
The IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine;hydrochloride (CID 75452401) is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine;hydrochloride?
The canonical SMILES for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine;hydrochloride is Cl.NCc1cc(Cl)cc2c1OCC2.
What is the InChIKey of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine;hydrochloride?
The InChIKey is HLQCYVNUXXJHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO.ClH/c10-8-3-6-1-2-12-9(6)7(4-8)5-11;/h3-4H,1-2,5,11H2;1H.
What are the key properties of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine;hydrochloride?
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine;hydrochloride has a molecular weight of 220.10 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine;hydrochloride is sourced from PubChem (CID 75452401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).