4-chloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine

C16H16ClNO — CID 67892811

IUPAC4-chloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine
SMILESCNC1Cc2ccccc2Oc2c(Cl)cccc2C1
InChIInChI=1S/C16H16ClNO/c1-18-13-9-11-5-2-3-8-15(11)19-16-12(10-13)6-4-7-14(16)17/h2-8,13,18H,9-10H2,1H3
InChIKeyGVFNJJVENGFGFR-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.82
Rot. Bonds1

About 4-chloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine

4-chloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine (PubChem CID 67892811) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 4-chloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine
PubChem CID67892811
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name4-chloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine
SMILESCNC1Cc2ccccc2Oc2c(Cl)cccc2C1
InChIInChI=1S/C16H16ClNO/c1-18-13-9-11-5-2-3-8-15(11)19-16-12(10-13)6-4-7-14(16)17/h2-8,13,18H,9-10H2,1H3
InChIKeyGVFNJJVENGFGFR-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine?
The IUPAC name of 4-chloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine (CID 67892811) is 4-chloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine.
What is the SMILES notation for 4-chloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine?
The canonical SMILES for 4-chloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine is CNC1Cc2ccccc2Oc2c(Cl)cccc2C1.
What is the InChIKey of 4-chloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine?
The InChIKey is GVFNJJVENGFGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-18-13-9-11-5-2-3-8-15(11)19-16-12(10-13)6-4-7-14(16)17/h2-8,13,18H,9-10H2,1H3.
What are the key properties of 4-chloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine?
4-chloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine has a molecular weight of 273.76 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-11,12-dihydro-10H-benzo[b][1]benzoxocin-11-amine is sourced from PubChem (CID 67892811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).