1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride

C12H15Cl2N — CID 3046880

IUPAC1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride
SMILESCNC1C=Cc2cccc(Cl)c2CC1.Cl
InChIInChI=1S/C12H14ClN.ClH/c1-14-10-6-5-9-3-2-4-12(13)11(9)8-7-10;/h2-6,10,14H,7-8H2,1H3;1H
InChIKeyBYENNPOSPUZKMQ-UHFFFAOYSA-N
MW244.16 g/mol
LogP3.31
Rot. Bonds1

About 1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride

1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride (PubChem CID 3046880) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is 1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride.

Molecular Properties

Compound Name1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride
PubChem CID3046880
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride
SMILESCNC1C=Cc2cccc(Cl)c2CC1.Cl
InChIInChI=1S/C12H14ClN.ClH/c1-14-10-6-5-9-3-2-4-12(13)11(9)8-7-10;/h2-6,10,14H,7-8H2,1H3;1H
InChIKeyBYENNPOSPUZKMQ-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride?
The IUPAC name of 1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride (CID 3046880) is 1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride.
What is the SMILES notation for 1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride?
The canonical SMILES for 1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride is CNC1C=Cc2cccc(Cl)c2CC1.Cl.
What is the InChIKey of 1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride?
The InChIKey is BYENNPOSPUZKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN.ClH/c1-14-10-6-5-9-3-2-4-12(13)11(9)8-7-10;/h2-6,10,14H,7-8H2,1H3;1H.
What are the key properties of 1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride?
1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride has a molecular weight of 244.16 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride is sourced from PubChem (CID 3046880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).