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

C12H14ClN — CID 3046881

IUPAC1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine
SMILESCNC1C=Cc2cccc(Cl)c2CC1
InChIInChI=1S/C12H14ClN/c1-14-10-6-5-9-3-2-4-12(13)11(9)8-7-10/h2-6,10,14H,7-8H2,1H3
InChIKeyOTMUCHOAEIVYAS-UHFFFAOYSA-N
MW207.70 g/mol
LogP2.89
Rot. Bonds1

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

1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine (PubChem CID 3046881) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine.

Molecular Properties

Compound Name1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine
PubChem CID3046881
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine
SMILESCNC1C=Cc2cccc(Cl)c2CC1
InChIInChI=1S/C12H14ClN/c1-14-10-6-5-9-3-2-4-12(13)11(9)8-7-10/h2-6,10,14H,7-8H2,1H3
InChIKeyOTMUCHOAEIVYAS-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 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 ≤ 52.89
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?
The IUPAC name of 1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine (CID 3046881) is 1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine.
What is the SMILES notation for 1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine?
The canonical SMILES for 1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine is CNC1C=Cc2cccc(Cl)c2CC1.
What is the InChIKey of 1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine?
The InChIKey is OTMUCHOAEIVYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-14-10-6-5-9-3-2-4-12(13)11(9)8-7-10/h2-6,10,14H,7-8H2,1H3.
What are the key properties of 1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine?
1-chloro-N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine has a molecular weight of 207.70 g/mol, XLogP of 2.89, 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 is sourced from PubChem (CID 3046881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).