1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)propan-2-amine;dihydrochloride

C13H22Cl2N2 — CID 3043615

IUPAC1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)propan-2-amine;dihydrochloride
SMILESCC(N)Cc1ccc2c(c1)CCCN2C.Cl.Cl
InChIInChI=1S/C13H20N2.2ClH/c1-10(14)8-11-5-6-13-12(9-11)4-3-7-15(13)2;;/h5-6,9-10H,3-4,7-8,14H2,1-2H3;2*1H
InChIKeyTVJDQAJNZZLLOS-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.80
Rot. Bonds2

About 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)propan-2-amine;dihydrochloride

1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)propan-2-amine;dihydrochloride (PubChem CID 3043615) has the molecular formula C13H22Cl2N2 and a molecular weight of 277.24 g/mol. Its IUPAC name is 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)propan-2-amine;dihydrochloride.

Molecular Properties

Compound Name1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)propan-2-amine;dihydrochloride
PubChem CID3043615
Molecular FormulaC13H22Cl2N2
Molecular Weight277.24 g/mol
Exact Mass276.12
IUPAC Name1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)propan-2-amine;dihydrochloride
SMILESCC(N)Cc1ccc2c(c1)CCCN2C.Cl.Cl
InChIInChI=1S/C13H20N2.2ClH/c1-10(14)8-11-5-6-13-12(9-11)4-3-7-15(13)2;;/h5-6,9-10H,3-4,7-8,14H2,1-2H3;2*1H
InChIKeyTVJDQAJNZZLLOS-UHFFFAOYSA-N
XLogP2.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)propan-2-amine;dihydrochloride?
The IUPAC name of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)propan-2-amine;dihydrochloride (CID 3043615) is 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)propan-2-amine;dihydrochloride.
What is the SMILES notation for 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)propan-2-amine;dihydrochloride?
The canonical SMILES for 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)propan-2-amine;dihydrochloride is CC(N)Cc1ccc2c(c1)CCCN2C.Cl.Cl.
What is the InChIKey of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)propan-2-amine;dihydrochloride?
The InChIKey is TVJDQAJNZZLLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.2ClH/c1-10(14)8-11-5-6-13-12(9-11)4-3-7-15(13)2;;/h5-6,9-10H,3-4,7-8,14H2,1-2H3;2*1H.
What are the key properties of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)propan-2-amine;dihydrochloride?
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)propan-2-amine;dihydrochloride has a molecular weight of 277.24 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)propan-2-amine;dihydrochloride is sourced from PubChem (CID 3043615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).