5-chloro-8-methoxy-N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C17H22ClNO — CID 67849625

IUPAC5-chloro-8-methoxy-N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC=CCN(CC=C)C1CCc2c(Cl)ccc(OC)c2C1
InChIInChI=1S/C17H22ClNO/c1-4-10-19(11-5-2)13-6-7-14-15(12-13)17(20-3)9-8-16(14)18/h4-5,8-9,13H,1-2,6-7,10-12H2,3H3
InChIKeyXUCZOWSSSKBJOV-UHFFFAOYSA-N
MW291.82 g/mol
LogP3.88
Rot. Bonds6

About 5-chloro-8-methoxy-N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine

5-chloro-8-methoxy-N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 67849625) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 5-chloro-8-methoxy-N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name5-chloro-8-methoxy-N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID67849625
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name5-chloro-8-methoxy-N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC=CCN(CC=C)C1CCc2c(Cl)ccc(OC)c2C1
InChIInChI=1S/C17H22ClNO/c1-4-10-19(11-5-2)13-6-7-14-15(12-13)17(20-3)9-8-16(14)18/h4-5,8-9,13H,1-2,6-7,10-12H2,3H3
InChIKeyXUCZOWSSSKBJOV-UHFFFAOYSA-N
XLogP3.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-methoxy-N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 5-chloro-8-methoxy-N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 67849625) is 5-chloro-8-methoxy-N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 5-chloro-8-methoxy-N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 5-chloro-8-methoxy-N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine is C=CCN(CC=C)C1CCc2c(Cl)ccc(OC)c2C1.
What is the InChIKey of 5-chloro-8-methoxy-N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is XUCZOWSSSKBJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-4-10-19(11-5-2)13-6-7-14-15(12-13)17(20-3)9-8-16(14)18/h4-5,8-9,13H,1-2,6-7,10-12H2,3H3.
What are the key properties of 5-chloro-8-methoxy-N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
5-chloro-8-methoxy-N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 291.82 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-methoxy-N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 67849625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).