1-(1-chloro-8,9-dihydro-7H-benzo[7]annulen-7-yl)-N-methylmethanamine

C13H16ClN — CID 154184213

IUPAC1-(1-chloro-8,9-dihydro-7H-benzo[7]annulen-7-yl)-N-methylmethanamine
SMILESCNCC1C=Cc2cccc(Cl)c2CC1
InChIInChI=1S/C13H16ClN/c1-15-9-10-5-7-11-3-2-4-13(14)12(11)8-6-10/h2-5,7,10,15H,6,8-9H2,1H3
InChIKeyZWAVVQCBQLJSME-UHFFFAOYSA-N
MW221.73 g/mol
LogP3.13
Rot. Bonds2

About 1-(1-chloro-8,9-dihydro-7H-benzo[7]annulen-7-yl)-N-methylmethanamine

1-(1-chloro-8,9-dihydro-7H-benzo[7]annulen-7-yl)-N-methylmethanamine (PubChem CID 154184213) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is 1-(1-chloro-8,9-dihydro-7H-benzo[7]annulen-7-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-chloro-8,9-dihydro-7H-benzo[7]annulen-7-yl)-N-methylmethanamine
PubChem CID154184213
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name1-(1-chloro-8,9-dihydro-7H-benzo[7]annulen-7-yl)-N-methylmethanamine
SMILESCNCC1C=Cc2cccc(Cl)c2CC1
InChIInChI=1S/C13H16ClN/c1-15-9-10-5-7-11-3-2-4-13(14)12(11)8-6-10/h2-5,7,10,15H,6,8-9H2,1H3
InChIKeyZWAVVQCBQLJSME-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-8,9-dihydro-7H-benzo[7]annulen-7-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-chloro-8,9-dihydro-7H-benzo[7]annulen-7-yl)-N-methylmethanamine (CID 154184213) is 1-(1-chloro-8,9-dihydro-7H-benzo[7]annulen-7-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-chloro-8,9-dihydro-7H-benzo[7]annulen-7-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-chloro-8,9-dihydro-7H-benzo[7]annulen-7-yl)-N-methylmethanamine is CNCC1C=Cc2cccc(Cl)c2CC1.
What is the InChIKey of 1-(1-chloro-8,9-dihydro-7H-benzo[7]annulen-7-yl)-N-methylmethanamine?
The InChIKey is ZWAVVQCBQLJSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN/c1-15-9-10-5-7-11-3-2-4-13(14)12(11)8-6-10/h2-5,7,10,15H,6,8-9H2,1H3.
What are the key properties of 1-(1-chloro-8,9-dihydro-7H-benzo[7]annulen-7-yl)-N-methylmethanamine?
1-(1-chloro-8,9-dihydro-7H-benzo[7]annulen-7-yl)-N-methylmethanamine has a molecular weight of 221.73 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-8,9-dihydro-7H-benzo[7]annulen-7-yl)-N-methylmethanamine is sourced from PubChem (CID 154184213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).