4H-benzo[7]annulen-7-ylmethanamine;hydrochloride

C12H14ClN — CID 22769539

IUPAC4H-benzo[7]annulen-7-ylmethanamine;hydrochloride
SMILESCl.NCC1=CC=C2CC=CC=C2C=C1
InChIInChI=1S/C12H13N.ClH/c13-9-10-5-7-11-3-1-2-4-12(11)8-6-10;/h1-3,5-8H,4,9,13H2;1H
InChIKeySXXZGQUSKPLYPZ-UHFFFAOYSA-N
MW207.70 g/mol
LogP2.68
Rot. Bonds1

About 4H-benzo[7]annulen-7-ylmethanamine;hydrochloride

4H-benzo[7]annulen-7-ylmethanamine;hydrochloride (PubChem CID 22769539) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 4H-benzo[7]annulen-7-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name4H-benzo[7]annulen-7-ylmethanamine;hydrochloride
PubChem CID22769539
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name4H-benzo[7]annulen-7-ylmethanamine;hydrochloride
SMILESCl.NCC1=CC=C2CC=CC=C2C=C1
InChIInChI=1S/C12H13N.ClH/c13-9-10-5-7-11-3-1-2-4-12(11)8-6-10;/h1-3,5-8H,4,9,13H2;1H
InChIKeySXXZGQUSKPLYPZ-UHFFFAOYSA-N
XLogP2.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4H-benzo[7]annulen-7-ylmethanamine;hydrochloride?
The IUPAC name of 4H-benzo[7]annulen-7-ylmethanamine;hydrochloride (CID 22769539) is 4H-benzo[7]annulen-7-ylmethanamine;hydrochloride.
What is the SMILES notation for 4H-benzo[7]annulen-7-ylmethanamine;hydrochloride?
The canonical SMILES for 4H-benzo[7]annulen-7-ylmethanamine;hydrochloride is Cl.NCC1=CC=C2CC=CC=C2C=C1.
What is the InChIKey of 4H-benzo[7]annulen-7-ylmethanamine;hydrochloride?
The InChIKey is SXXZGQUSKPLYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.ClH/c13-9-10-5-7-11-3-1-2-4-12(11)8-6-10;/h1-3,5-8H,4,9,13H2;1H.
What are the key properties of 4H-benzo[7]annulen-7-ylmethanamine;hydrochloride?
4H-benzo[7]annulen-7-ylmethanamine;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-benzo[7]annulen-7-ylmethanamine;hydrochloride is sourced from PubChem (CID 22769539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).