5,6,7,8-tetrahydrobenzo[f][1]benzofuran-7-amine;hydrochloride

C12H14ClNO — CID 19853126

IUPAC5,6,7,8-tetrahydrobenzo[f][1]benzofuran-7-amine;hydrochloride
SMILESCl.NC1CCc2cc3ccoc3cc2C1
InChIInChI=1S/C12H13NO.ClH/c13-11-2-1-8-5-9-3-4-14-12(9)7-10(8)6-11;/h3-5,7,11H,1-2,6,13H2;1H
InChIKeyNFMWZGJHRCLUNY-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.67
Rot. Bonds

About 5,6,7,8-tetrahydrobenzo[f][1]benzofuran-7-amine;hydrochloride

5,6,7,8-tetrahydrobenzo[f][1]benzofuran-7-amine;hydrochloride (PubChem CID 19853126) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 5,6,7,8-tetrahydrobenzo[f][1]benzofuran-7-amine;hydrochloride.

Molecular Properties

Compound Name5,6,7,8-tetrahydrobenzo[f][1]benzofuran-7-amine;hydrochloride
PubChem CID19853126
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name5,6,7,8-tetrahydrobenzo[f][1]benzofuran-7-amine;hydrochloride
SMILESCl.NC1CCc2cc3ccoc3cc2C1
InChIInChI=1S/C12H13NO.ClH/c13-11-2-1-8-5-9-3-4-14-12(9)7-10(8)6-11;/h3-5,7,11H,1-2,6,13H2;1H
InChIKeyNFMWZGJHRCLUNY-UHFFFAOYSA-N
XLogP2.67
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydrobenzo[f][1]benzofuran-7-amine;hydrochloride?
The IUPAC name of 5,6,7,8-tetrahydrobenzo[f][1]benzofuran-7-amine;hydrochloride (CID 19853126) is 5,6,7,8-tetrahydrobenzo[f][1]benzofuran-7-amine;hydrochloride.
What is the SMILES notation for 5,6,7,8-tetrahydrobenzo[f][1]benzofuran-7-amine;hydrochloride?
The canonical SMILES for 5,6,7,8-tetrahydrobenzo[f][1]benzofuran-7-amine;hydrochloride is Cl.NC1CCc2cc3ccoc3cc2C1.
What is the InChIKey of 5,6,7,8-tetrahydrobenzo[f][1]benzofuran-7-amine;hydrochloride?
The InChIKey is NFMWZGJHRCLUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.ClH/c13-11-2-1-8-5-9-3-4-14-12(9)7-10(8)6-11;/h3-5,7,11H,1-2,6,13H2;1H.
What are the key properties of 5,6,7,8-tetrahydrobenzo[f][1]benzofuran-7-amine;hydrochloride?
5,6,7,8-tetrahydrobenzo[f][1]benzofuran-7-amine;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydrobenzo[f][1]benzofuran-7-amine;hydrochloride is sourced from PubChem (CID 19853126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).