3-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine

C19H20ClNO — CID 151240600

IUPAC3-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCC=C1c2ccc(Cl)cc2COc2ccccc21
InChIInChI=1S/C19H20ClNO/c1-21(2)11-5-7-17-16-10-9-15(20)12-14(16)13-22-19-8-4-3-6-18(17)19/h3-4,6-10,12H,5,11,13H2,1-2H3
InChIKeyNQFNLIFFBBMLQZ-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.62
Rot. Bonds3

About 3-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine

3-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine (PubChem CID 151240600) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
PubChem CID151240600
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name3-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCC=C1c2ccc(Cl)cc2COc2ccccc21
InChIInChI=1S/C19H20ClNO/c1-21(2)11-5-7-17-16-10-9-15(20)12-14(16)13-22-19-8-4-3-6-18(17)19/h3-4,6-10,12H,5,11,13H2,1-2H3
InChIKeyNQFNLIFFBBMLQZ-UHFFFAOYSA-N
XLogP4.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine (CID 151240600) is 3-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine is CN(C)CCC=C1c2ccc(Cl)cc2COc2ccccc21.
What is the InChIKey of 3-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine?
The InChIKey is NQFNLIFFBBMLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-21(2)11-5-7-17-16-10-9-15(20)12-14(16)13-22-19-8-4-3-6-18(17)19/h3-4,6-10,12H,5,11,13H2,1-2H3.
What are the key properties of 3-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine?
3-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine has a molecular weight of 313.83 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 151240600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).