7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine

C12H16ClNO — CID 18386395

IUPAC7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc(Cl)c2c1CCC2N(C)C
InChIInChI=1S/C12H16ClNO/c1-14(2)10-6-4-8-11(15-3)7-5-9(13)12(8)10/h5,7,10H,4,6H2,1-3H3
InChIKeyDFOWLVFXVQIGQP-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.90
Rot. Bonds2

About 7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine

7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 18386395) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
PubChem CID18386395
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc(Cl)c2c1CCC2N(C)C
InChIInChI=1S/C12H16ClNO/c1-14(2)10-6-4-8-11(15-3)7-5-9(13)12(8)10/h5,7,10H,4,6H2,1-3H3
InChIKeyDFOWLVFXVQIGQP-UHFFFAOYSA-N
XLogP2.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine (CID 18386395) is 7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine is COc1ccc(Cl)c2c1CCC2N(C)C.
What is the InChIKey of 7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DFOWLVFXVQIGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-14(2)10-6-4-8-11(15-3)7-5-9(13)12(8)10/h5,7,10H,4,6H2,1-3H3.
What are the key properties of 7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine?
7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 225.72 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 18386395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).