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

C16H15Cl2NO — CID 57144711

IUPAC(1Z)-5,13-dichloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
SMILESCNC1CC=c2c(Cl)ccc/c2=C2\C=CC(Cl)=CC2O1
InChIInChI=1S/C16H15Cl2NO/c1-19-16-8-7-12-11(3-2-4-14(12)18)13-6-5-10(17)9-15(13)20-16/h2-7,9,15-16,19H,8H2,1H3/b12-7?,13-11-
InChIKeyRPBWMXQXSIYFGX-RVEWSBHASA-N
MW308.21 g/mol
LogP2.30
Rot. Bonds1

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

(1Z)-5,13-dichloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine (PubChem CID 57144711) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is (1Z)-5,13-dichloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine.

Molecular Properties

Compound Name(1Z)-5,13-dichloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
PubChem CID57144711
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name(1Z)-5,13-dichloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
SMILESCNC1CC=c2c(Cl)ccc/c2=C2\C=CC(Cl)=CC2O1
InChIInChI=1S/C16H15Cl2NO/c1-19-16-8-7-12-11(3-2-4-14(12)18)13-6-5-10(17)9-15(13)20-16/h2-7,9,15-16,19H,8H2,1H3/b12-7?,13-11-
InChIKeyRPBWMXQXSIYFGX-RVEWSBHASA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-5-chloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 57035214
(1Z)-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 57047502
(1Z)-N,3-dimethyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 57191539

Frequently Asked Questions

What is the IUPAC name of (1Z)-5,13-dichloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
The IUPAC name of (1Z)-5,13-dichloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine (CID 57144711) is (1Z)-5,13-dichloro-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)-5,13-dichloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
The canonical SMILES for (1Z)-5,13-dichloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine is CNC1CC=c2c(Cl)ccc/c2=C2\C=CC(Cl)=CC2O1.
What is the InChIKey of (1Z)-5,13-dichloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
The InChIKey is RPBWMXQXSIYFGX-RVEWSBHASA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-19-16-8-7-12-11(3-2-4-14(12)18)13-6-5-10(17)9-15(13)20-16/h2-7,9,15-16,19H,8H2,1H3/b12-7?,13-11-.
What are the key properties of (1Z)-5,13-dichloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine?
(1Z)-5,13-dichloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine has a molecular weight of 308.21 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-5,13-dichloro-N-methyl-8-oxatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine is sourced from PubChem (CID 57144711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).