2-[1-ethyl-7-[(4-phenylphenyl)methoxy]-3,4-dihydro-2H-quinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride

C28H36Cl2N2O — CID 18361593

IUPAC2-[1-ethyl-7-[(4-phenylphenyl)methoxy]-3,4-dihydro-2H-quinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride
SMILESCCN1CC(CCN(C)C)Cc2ccc(OCc3ccc(-c4ccccc4)cc3)cc21.Cl.Cl
InChIInChI=1S/C28H34N2O.2ClH/c1-4-30-20-23(16-17-29(2)3)18-26-14-15-27(19-28(26)30)31-21-22-10-12-25(13-11-22)24-8-6-5-7-9-24;;/h5-15,19,23H,4,16-18,20-21H2,1-3H3;2*1H
InChIKeyMUIUWAORNVGXRE-UHFFFAOYSA-N
MW487.52 g/mol
LogP6.73
Rot. Bonds8

About 2-[1-ethyl-7-[(4-phenylphenyl)methoxy]-3,4-dihydro-2H-quinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride

2-[1-ethyl-7-[(4-phenylphenyl)methoxy]-3,4-dihydro-2H-quinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride (PubChem CID 18361593) has the molecular formula C28H36Cl2N2O and a molecular weight of 487.52 g/mol. Its IUPAC name is 2-[1-ethyl-7-[(4-phenylphenyl)methoxy]-3,4-dihydro-2H-quinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride.

Molecular Properties

Compound Name2-[1-ethyl-7-[(4-phenylphenyl)methoxy]-3,4-dihydro-2H-quinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride
PubChem CID18361593
Molecular FormulaC28H36Cl2N2O
Molecular Weight487.52 g/mol
Exact Mass486.22
IUPAC Name2-[1-ethyl-7-[(4-phenylphenyl)methoxy]-3,4-dihydro-2H-quinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride
SMILESCCN1CC(CCN(C)C)Cc2ccc(OCc3ccc(-c4ccccc4)cc3)cc21.Cl.Cl
InChIInChI=1S/C28H34N2O.2ClH/c1-4-30-20-23(16-17-29(2)3)18-26-14-15-27(19-28(26)30)31-21-22-10-12-25(13-11-22)24-8-6-5-7-9-24;;/h5-15,19,23H,4,16-18,20-21H2,1-3H3;2*1H
InChIKeyMUIUWAORNVGXRE-UHFFFAOYSA-N
XLogP6.73
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.52
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-ethyl-7-[(4-phenylphenyl)methoxy]-3,4-dihydro-2H-quinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride with MolForge

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Related Compounds

N,N,N'-trimethyl-N'-[2-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]ethane-1,2-diamine;dihydrochloride
CID 18361575
N,N-dimethyl-4-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]butan-1-amine
CID 18361489
[3-[4-[[6-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]phenyl]phenyl]methanol
CID 59091076
2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine
CID 18361484
N,N-dimethyl-2-[6-[[4-(2,3,4-trimethoxy-6-methylphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;hydrochloride
CID 18361500
N-methyl-1-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 18361491
hydroxy-dimethyl-[2-[6-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethyl]azanium
CID 91416199
2-[5-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine
CID 68808496
2-[6-[(4-naphthalen-2-ylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]ethanamine;propane
CID 158187299
1-ethyl-6-(pyridin-4-ylmethoxy)-2,3-dihydroindole
CID 134597105
1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(4-phenylmethoxyphenyl)propan-1-one
CID 70205812
7-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 166633236

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-7-[(4-phenylphenyl)methoxy]-3,4-dihydro-2H-quinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride?
The IUPAC name of 2-[1-ethyl-7-[(4-phenylphenyl)methoxy]-3,4-dihydro-2H-quinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride (CID 18361593) is 2-[1-ethyl-7-[(4-phenylphenyl)methoxy]-3,4-dihydro-2H-quinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride.
What is the SMILES notation for 2-[1-ethyl-7-[(4-phenylphenyl)methoxy]-3,4-dihydro-2H-quinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride?
The canonical SMILES for 2-[1-ethyl-7-[(4-phenylphenyl)methoxy]-3,4-dihydro-2H-quinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride is CCN1CC(CCN(C)C)Cc2ccc(OCc3ccc(-c4ccccc4)cc3)cc21.Cl.Cl.
What is the InChIKey of 2-[1-ethyl-7-[(4-phenylphenyl)methoxy]-3,4-dihydro-2H-quinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride?
The InChIKey is MUIUWAORNVGXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O.2ClH/c1-4-30-20-23(16-17-29(2)3)18-26-14-15-27(19-28(26)30)31-21-22-10-12-25(13-11-22)24-8-6-5-7-9-24;;/h5-15,19,23H,4,16-18,20-21H2,1-3H3;2*1H.
What are the key properties of 2-[1-ethyl-7-[(4-phenylphenyl)methoxy]-3,4-dihydro-2H-quinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride?
2-[1-ethyl-7-[(4-phenylphenyl)methoxy]-3,4-dihydro-2H-quinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride has a molecular weight of 487.52 g/mol, XLogP of 6.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-7-[(4-phenylphenyl)methoxy]-3,4-dihydro-2H-quinolin-3-yl]-N,N-dimethylethanamine;dihydrochloride is sourced from PubChem (CID 18361593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).