N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride

C12H19ClN2 — CID 175798453

IUPACN-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride
SMILESCNCC1CCN(C)c2ccccc21.Cl
InChIInChI=1S/C12H18N2.ClH/c1-13-9-10-7-8-14(2)12-6-4-3-5-11(10)12;/h3-6,10,13H,7-9H2,1-2H3;1H
InChIKeyWKSZXQHGLGUHCM-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.25
Rot. Bonds2

About N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride

N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride (PubChem CID 175798453) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride
PubChem CID175798453
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC NameN-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride
SMILESCNCC1CCN(C)c2ccccc21.Cl
InChIInChI=1S/C12H18N2.ClH/c1-13-9-10-7-8-14(2)12-6-4-3-5-11(10)12;/h3-6,10,13H,7-9H2,1-2H3;1H
InChIKeyWKSZXQHGLGUHCM-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride?
The IUPAC name of N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride (CID 175798453) is N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride is CNCC1CCN(C)c2ccccc21.Cl.
What is the InChIKey of N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride?
The InChIKey is WKSZXQHGLGUHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.ClH/c1-13-9-10-7-8-14(2)12-6-4-3-5-11(10)12;/h3-6,10,13H,7-9H2,1-2H3;1H.
What are the key properties of N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride?
N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride has a molecular weight of 226.75 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 175798453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).