(1Z)-5-chloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine

C16H16ClNO — CID 57035214

IUPAC(1Z)-5-chloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
SMILESCNC1CC=c2cccc/c2=C2\C=CC(Cl)=CC2O1
InChIInChI=1S/C16H16ClNO/c1-18-16-9-6-11-4-2-3-5-13(11)14-8-7-12(17)10-15(14)19-16/h2-8,10,15-16,18H,9H2,1H3/b11-6?,14-13-
InChIKeyVKKGINIDHUZSTK-RJAVPJRDSA-N
MW273.76 g/mol
LogP1.64
Rot. Bonds1

About (1Z)-5-chloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine

(1Z)-5-chloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine (PubChem CID 57035214) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is (1Z)-5-chloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine.

Molecular Properties

Compound Name(1Z)-5-chloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
PubChem CID57035214
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name(1Z)-5-chloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
SMILESCNC1CC=c2cccc/c2=C2\C=CC(Cl)=CC2O1
InChIInChI=1S/C16H16ClNO/c1-18-16-9-6-11-4-2-3-5-13(11)14-8-7-12(17)10-15(14)19-16/h2-8,10,15-16,18H,9H2,1H3/b11-6?,14-13-
InChIKeyVKKGINIDHUZSTK-RJAVPJRDSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1Z)-5-chloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine with MolForge

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Related Compounds

(1Z)-N,5-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 56987040
(1Z)-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 57047502
(1Z)-5,13-dichloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 57144711
(1Z)-N,3-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 57191539
3-(2-chloro-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine
CID 153748070
3-(8-chloro-4aH-benzo[c]chromen-6-yl)-N-methylpropan-1-amine
CID 153748075

Frequently Asked Questions

What is the IUPAC name of (1Z)-5-chloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
The IUPAC name of (1Z)-5-chloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine (CID 57035214) is (1Z)-5-chloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine.
What is the SMILES notation for (1Z)-5-chloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
The canonical SMILES for (1Z)-5-chloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine is CNC1CC=c2cccc/c2=C2\C=CC(Cl)=CC2O1.
What is the InChIKey of (1Z)-5-chloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
The InChIKey is VKKGINIDHUZSTK-RJAVPJRDSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-18-16-9-6-11-4-2-3-5-13(11)14-8-7-12(17)10-15(14)19-16/h2-8,10,15-16,18H,9H2,1H3/b11-6?,14-13-.
What are the key properties of (1Z)-5-chloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
(1Z)-5-chloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine has a molecular weight of 273.76 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-5-chloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine is sourced from PubChem (CID 57035214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).