5-methyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-amine;dihydrochloride

C17H22Cl2N2O — CID 19026188

IUPAC5-methyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-amine;dihydrochloride
SMILESCC1(N)CCCc2nc(OCc3ccccc3)ccc21.Cl.Cl
InChIInChI=1S/C17H20N2O.2ClH/c1-17(18)11-5-8-15-14(17)9-10-16(19-15)20-12-13-6-3-2-4-7-13;;/h2-4,6-7,9-10H,5,8,11-12,18H2,1H3;2*1H
InChIKeyNAIUXZHTBJWVNP-UHFFFAOYSA-N
MW341.28 g/mol
LogP4.01
Rot. Bonds3

About 5-methyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-amine;dihydrochloride

5-methyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-amine;dihydrochloride (PubChem CID 19026188) has the molecular formula C17H22Cl2N2O and a molecular weight of 341.28 g/mol. Its IUPAC name is 5-methyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-amine;dihydrochloride.

Molecular Properties

Compound Name5-methyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-amine;dihydrochloride
PubChem CID19026188
Molecular FormulaC17H22Cl2N2O
Molecular Weight341.28 g/mol
Exact Mass340.11
IUPAC Name5-methyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-amine;dihydrochloride
SMILESCC1(N)CCCc2nc(OCc3ccccc3)ccc21.Cl.Cl
InChIInChI=1S/C17H20N2O.2ClH/c1-17(18)11-5-8-15-14(17)9-10-16(19-15)20-12-13-6-3-2-4-7-13;;/h2-4,6-7,9-10H,5,8,11-12,18H2,1H3;2*1H
InChIKeyNAIUXZHTBJWVNP-UHFFFAOYSA-N
XLogP4.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-amine;dihydrochloride?
The IUPAC name of 5-methyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-amine;dihydrochloride (CID 19026188) is 5-methyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-amine;dihydrochloride.
What is the SMILES notation for 5-methyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-amine;dihydrochloride?
The canonical SMILES for 5-methyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-amine;dihydrochloride is CC1(N)CCCc2nc(OCc3ccccc3)ccc21.Cl.Cl.
What is the InChIKey of 5-methyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-amine;dihydrochloride?
The InChIKey is NAIUXZHTBJWVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.2ClH/c1-17(18)11-5-8-15-14(17)9-10-16(19-15)20-12-13-6-3-2-4-7-13;;/h2-4,6-7,9-10H,5,8,11-12,18H2,1H3;2*1H.
What are the key properties of 5-methyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-amine;dihydrochloride?
5-methyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-amine;dihydrochloride has a molecular weight of 341.28 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenylmethoxy-7,8-dihydro-6H-quinolin-5-amine;dihydrochloride is sourced from PubChem (CID 19026188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).