1-(3,4-dichlorophenyl)-N,N-dimethyl-3,4-dihydro-2H-quinolin-4-amine

C17H18Cl2N2 — CID 50941458

IUPAC1-(3,4-dichlorophenyl)-N,N-dimethyl-3,4-dihydro-2H-quinolin-4-amine
SMILESCN(C)C1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C17H18Cl2N2/c1-20(2)16-9-10-21(17-6-4-3-5-13(16)17)12-7-8-14(18)15(19)11-12/h3-8,11,16H,9-10H2,1-2H3
InChIKeyUEPBVWIBDNMJPA-UHFFFAOYSA-N
MW321.25 g/mol
LogP5.14
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-N,N-dimethyl-3,4-dihydro-2H-quinolin-4-amine

1-(3,4-dichlorophenyl)-N,N-dimethyl-3,4-dihydro-2H-quinolin-4-amine (PubChem CID 50941458) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N,N-dimethyl-3,4-dihydro-2H-quinolin-4-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N,N-dimethyl-3,4-dihydro-2H-quinolin-4-amine
PubChem CID50941458
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name1-(3,4-dichlorophenyl)-N,N-dimethyl-3,4-dihydro-2H-quinolin-4-amine
SMILESCN(C)C1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C17H18Cl2N2/c1-20(2)16-9-10-21(17-6-4-3-5-13(16)17)12-7-8-14(18)15(19)11-12/h3-8,11,16H,9-10H2,1-2H3
InChIKeyUEPBVWIBDNMJPA-UHFFFAOYSA-N
XLogP5.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.25
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N,N-dimethyl-3,4-dihydro-2H-quinolin-4-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N,N-dimethyl-3,4-dihydro-2H-quinolin-4-amine (CID 50941458) is 1-(3,4-dichlorophenyl)-N,N-dimethyl-3,4-dihydro-2H-quinolin-4-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N,N-dimethyl-3,4-dihydro-2H-quinolin-4-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N,N-dimethyl-3,4-dihydro-2H-quinolin-4-amine is CN(C)C1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N,N-dimethyl-3,4-dihydro-2H-quinolin-4-amine?
The InChIKey is UEPBVWIBDNMJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c1-20(2)16-9-10-21(17-6-4-3-5-13(16)17)12-7-8-14(18)15(19)11-12/h3-8,11,16H,9-10H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N,N-dimethyl-3,4-dihydro-2H-quinolin-4-amine?
1-(3,4-dichlorophenyl)-N,N-dimethyl-3,4-dihydro-2H-quinolin-4-amine has a molecular weight of 321.25 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N,N-dimethyl-3,4-dihydro-2H-quinolin-4-amine is sourced from PubChem (CID 50941458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).