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

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Related Compounds

8-chloro-5-methoxy-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 138400676
1,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 104546666
4,5-dichloro-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 104546674
8-chloro-N,N-dimethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 138400673
N-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylprop-2-enamide
CID 127267426
(5S)-4-chloro-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 104546659
1-chloro-4,7-dimethoxy-2,3-dihydro-1H-indene
CID 61383826
1-[(1R)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 21120088
(7-chloro-2-cyclohexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82544538
5-chloro-1-methoxy-4-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 62735461
8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104546598
5-chloro-8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol
CID 82887640

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).