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

C15H14Cl2N2 — CID 53319232

IUPAC(3S)-1-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinolin-3-amine
SMILESN[C@H]1Cc2ccccc2N(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H14Cl2N2/c16-13-6-5-12(8-14(13)17)19-9-11(18)7-10-3-1-2-4-15(10)19/h1-6,8,11H,7,9,18H2/t11-/m0/s1
InChIKeyRAQYAPJFZWPJNL-NSHDSACASA-N
MW293.20 g/mol
LogP4.01
Rot. Bonds1

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

(3S)-1-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinolin-3-amine (PubChem CID 53319232) has the molecular formula C15H14Cl2N2 and a molecular weight of 293.20 g/mol. Its IUPAC name is (3S)-1-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinolin-3-amine.

Molecular Properties

Compound Name(3S)-1-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinolin-3-amine
PubChem CID53319232
Molecular FormulaC15H14Cl2N2
Molecular Weight293.20 g/mol
Exact Mass292.05
IUPAC Name(3S)-1-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinolin-3-amine
SMILESN[C@H]1Cc2ccccc2N(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H14Cl2N2/c16-13-6-5-12(8-14(13)17)19-9-11(18)7-10-3-1-2-4-15(10)19/h1-6,8,11H,7,9,18H2/t11-/m0/s1
InChIKeyRAQYAPJFZWPJNL-NSHDSACASA-N
XLogP4.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinolin-3-amine?
The IUPAC name of (3S)-1-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinolin-3-amine (CID 53319232) is (3S)-1-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinolin-3-amine.
What is the SMILES notation for (3S)-1-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinolin-3-amine?
The canonical SMILES for (3S)-1-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinolin-3-amine is N[C@H]1Cc2ccccc2N(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (3S)-1-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinolin-3-amine?
The InChIKey is RAQYAPJFZWPJNL-NSHDSACASA-N. The full InChI is InChI=1S/C15H14Cl2N2/c16-13-6-5-12(8-14(13)17)19-9-11(18)7-10-3-1-2-4-15(10)19/h1-6,8,11H,7,9,18H2/t11-/m0/s1.
What are the key properties of (3S)-1-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinolin-3-amine?
(3S)-1-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinolin-3-amine has a molecular weight of 293.20 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinolin-3-amine is sourced from PubChem (CID 53319232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).