N-[(1R)-1,2-diphenylethyl]-N,2-dimethylquinolin-8-amine

C25H24N2 — CID 170010452

IUPACN-[(1R)-1,2-diphenylethyl]-N,2-dimethylquinolin-8-amine
SMILESCc1ccc2cccc(N(C)[C@H](Cc3ccccc3)c3ccccc3)c2n1
InChIInChI=1S/C25H24N2/c1-19-16-17-22-14-9-15-23(25(22)26-19)27(2)24(21-12-7-4-8-13-21)18-20-10-5-3-6-11-20/h3-17,24H,18H2,1-2H3/t24-/m1/s1
InChIKeyCGSANJXAJCXMQH-XMMPIXPASA-N
MW352.48 g/mol
LogP5.96
Rot. Bonds5

About N-[(1R)-1,2-diphenylethyl]-N,2-dimethylquinolin-8-amine

N-[(1R)-1,2-diphenylethyl]-N,2-dimethylquinolin-8-amine (PubChem CID 170010452) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(1R)-1,2-diphenylethyl]-N,2-dimethylquinolin-8-amine.

Molecular Properties

Compound NameN-[(1R)-1,2-diphenylethyl]-N,2-dimethylquinolin-8-amine
PubChem CID170010452
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC NameN-[(1R)-1,2-diphenylethyl]-N,2-dimethylquinolin-8-amine
SMILESCc1ccc2cccc(N(C)[C@H](Cc3ccccc3)c3ccccc3)c2n1
InChIInChI=1S/C25H24N2/c1-19-16-17-22-14-9-15-23(25(22)26-19)27(2)24(21-12-7-4-8-13-21)18-20-10-5-3-6-11-20/h3-17,24H,18H2,1-2H3/t24-/m1/s1
InChIKeyCGSANJXAJCXMQH-XMMPIXPASA-N
XLogP5.96
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,2-diphenylethyl]-N,2-dimethylquinolin-8-amine?
The IUPAC name of N-[(1R)-1,2-diphenylethyl]-N,2-dimethylquinolin-8-amine (CID 170010452) is N-[(1R)-1,2-diphenylethyl]-N,2-dimethylquinolin-8-amine.
What is the SMILES notation for N-[(1R)-1,2-diphenylethyl]-N,2-dimethylquinolin-8-amine?
The canonical SMILES for N-[(1R)-1,2-diphenylethyl]-N,2-dimethylquinolin-8-amine is Cc1ccc2cccc(N(C)[C@H](Cc3ccccc3)c3ccccc3)c2n1.
What is the InChIKey of N-[(1R)-1,2-diphenylethyl]-N,2-dimethylquinolin-8-amine?
The InChIKey is CGSANJXAJCXMQH-XMMPIXPASA-N. The full InChI is InChI=1S/C25H24N2/c1-19-16-17-22-14-9-15-23(25(22)26-19)27(2)24(21-12-7-4-8-13-21)18-20-10-5-3-6-11-20/h3-17,24H,18H2,1-2H3/t24-/m1/s1.
What are the key properties of N-[(1R)-1,2-diphenylethyl]-N,2-dimethylquinolin-8-amine?
N-[(1R)-1,2-diphenylethyl]-N,2-dimethylquinolin-8-amine has a molecular weight of 352.48 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,2-diphenylethyl]-N,2-dimethylquinolin-8-amine is sourced from PubChem (CID 170010452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).