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

C12H15Cl2N — CID 3046878

IUPAC3-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride
SMILESCNC1C=Cc2cc(Cl)ccc2CC1.Cl
InChIInChI=1S/C12H14ClN.ClH/c1-14-12-6-3-9-2-5-11(13)8-10(9)4-7-12;/h2,4-5,7-8,12,14H,3,6H2,1H3;1H
InChIKeyMRUWMQFQMKVFJJ-UHFFFAOYSA-N
MW244.16 g/mol
LogP3.31
Rot. Bonds1

About 3-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride

3-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride (PubChem CID 3046878) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is 3-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride.

Molecular Properties

Compound Name3-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride
PubChem CID3046878
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name3-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride
SMILESCNC1C=Cc2cc(Cl)ccc2CC1.Cl
InChIInChI=1S/C12H14ClN.ClH/c1-14-12-6-3-9-2-5-11(13)8-10(9)4-7-12;/h2,4-5,7-8,12,14H,3,6H2,1H3;1H
InChIKeyMRUWMQFQMKVFJJ-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 3-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride?
The IUPAC name of 3-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride (CID 3046878) is 3-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride.
What is the SMILES notation for 3-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride?
The canonical SMILES for 3-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride is CNC1C=Cc2cc(Cl)ccc2CC1.Cl.
What is the InChIKey of 3-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride?
The InChIKey is MRUWMQFQMKVFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN.ClH/c1-14-12-6-3-9-2-5-11(13)8-10(9)4-7-12;/h2,4-5,7-8,12,14H,3,6H2,1H3;1H.
What are the key properties of 3-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride?
3-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 3-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine;hydrochloride is sourced from PubChem (CID 3046878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).