9-chloro-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-acridine

C16H18ClNO — CID 53362735

IUPAC9-chloro-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-acridine
SMILESCOc1ccc2c(Cl)c3c(nc2c1)CCC(C)(C)C3
InChIInChI=1S/C16H18ClNO/c1-16(2)7-6-13-12(9-16)15(17)11-5-4-10(19-3)8-14(11)18-13/h4-5,8H,6-7,9H2,1-3H3
InChIKeyCDYBZAWLMNJXTM-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.41
Rot. Bonds1

About 9-chloro-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-acridine

9-chloro-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-acridine (PubChem CID 53362735) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 9-chloro-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-acridine.

Molecular Properties

Compound Name9-chloro-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-acridine
PubChem CID53362735
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name9-chloro-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-acridine
SMILESCOc1ccc2c(Cl)c3c(nc2c1)CCC(C)(C)C3
InChIInChI=1S/C16H18ClNO/c1-16(2)7-6-13-12(9-16)15(17)11-5-4-10(19-3)8-14(11)18-13/h4-5,8H,6-7,9H2,1-3H3
InChIKeyCDYBZAWLMNJXTM-UHFFFAOYSA-N
XLogP4.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-acridine?
The IUPAC name of 9-chloro-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-acridine (CID 53362735) is 9-chloro-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-acridine.
What is the SMILES notation for 9-chloro-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-acridine?
The canonical SMILES for 9-chloro-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-acridine is COc1ccc2c(Cl)c3c(nc2c1)CCC(C)(C)C3.
What is the InChIKey of 9-chloro-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-acridine?
The InChIKey is CDYBZAWLMNJXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-16(2)7-6-13-12(9-16)15(17)11-5-4-10(19-3)8-14(11)18-13/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 9-chloro-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-acridine?
9-chloro-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-acridine has a molecular weight of 275.78 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-acridine is sourced from PubChem (CID 53362735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).