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

C9H9Cl2NO — CID 134690928

IUPAC(2-chloro-1-benzofuran-3-yl)methanamine;hydrochloride
SMILESCl.NCc1c(Cl)oc2ccccc12
InChIInChI=1S/C9H8ClNO.ClH/c10-9-7(5-11)6-3-1-2-4-8(6)12-9;/h1-4H,5,11H2;1H
InChIKeyOXTNCIZPZKPKPV-UHFFFAOYSA-N
MW218.08 g/mol
LogP2.97
Rot. Bonds1

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

(2-chloro-1-benzofuran-3-yl)methanamine;hydrochloride (PubChem CID 134690928) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is (2-chloro-1-benzofuran-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-chloro-1-benzofuran-3-yl)methanamine;hydrochloride
PubChem CID134690928
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name(2-chloro-1-benzofuran-3-yl)methanamine;hydrochloride
SMILESCl.NCc1c(Cl)oc2ccccc12
InChIInChI=1S/C9H8ClNO.ClH/c10-9-7(5-11)6-3-1-2-4-8(6)12-9;/h1-4H,5,11H2;1H
InChIKeyOXTNCIZPZKPKPV-UHFFFAOYSA-N
XLogP2.97
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzofuran-3-ylmethyl)sulfamide
CID 11521450
2-(Aminomethyl)benzofuran
CID 19079348
(E)-N-(1-benzofuran-3-ylmethyl)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 137657879
(E)-N-(1-benzofuran-3-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 137658868
3-Benzofuranethanamine
CID 18786123
1,2,3,4-Tetrahydro-benzofuro(3,2-c)pyridine
CID 11160118
1-(1-Benzofuran-3-yl)methanamine
CID 23504847
(E)-N-(1-benzofuran-3-ylmethyl)-3-(3-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 137645467
N-[(2-methyl-3-benzofuranyl)methyl]-sulfamide
CID 11492439
1-(1-Benzofuran-2-YL)propan-2-amine
CID 413938
2-Chloro-3-methyl-1-benzofuran
CID 641468
3-Benzofuranmethylamine, 2-ethyl-
CID 56186

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1-benzofuran-3-yl)methanamine;hydrochloride?
The IUPAC name of (2-chloro-1-benzofuran-3-yl)methanamine;hydrochloride (CID 134690928) is (2-chloro-1-benzofuran-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (2-chloro-1-benzofuran-3-yl)methanamine;hydrochloride?
The canonical SMILES for (2-chloro-1-benzofuran-3-yl)methanamine;hydrochloride is Cl.NCc1c(Cl)oc2ccccc12.
What is the InChIKey of (2-chloro-1-benzofuran-3-yl)methanamine;hydrochloride?
The InChIKey is OXTNCIZPZKPKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO.ClH/c10-9-7(5-11)6-3-1-2-4-8(6)12-9;/h1-4H,5,11H2;1H.
What are the key properties of (2-chloro-1-benzofuran-3-yl)methanamine;hydrochloride?
(2-chloro-1-benzofuran-3-yl)methanamine;hydrochloride has a molecular weight of 218.08 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1-benzofuran-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 134690928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).