(3S,4S)-4-ethyl-3-methyl-1-phenyl-2,4-dihydroquinolin-3-amine

C18H22N2 — CID 153287574

IUPAC(3S,4S)-4-ethyl-3-methyl-1-phenyl-2,4-dihydroquinolin-3-amine
SMILESCC[C@H]1c2ccccc2N(c2ccccc2)C[C@@]1(C)N
InChIInChI=1S/C18H22N2/c1-3-16-15-11-7-8-12-17(15)20(13-18(16,2)19)14-9-5-4-6-10-14/h4-12,16H,3,13,19H2,1-2H3/t16-,18+/m0/s1
InChIKeyWJDLKMWEXVEBMK-FUHWJXTLSA-N
MW266.39 g/mol
LogP4.05
Rot. Bonds2

About (3S,4S)-4-ethyl-3-methyl-1-phenyl-2,4-dihydroquinolin-3-amine

(3S,4S)-4-ethyl-3-methyl-1-phenyl-2,4-dihydroquinolin-3-amine (PubChem CID 153287574) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (3S,4S)-4-ethyl-3-methyl-1-phenyl-2,4-dihydroquinolin-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-ethyl-3-methyl-1-phenyl-2,4-dihydroquinolin-3-amine
PubChem CID153287574
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(3S,4S)-4-ethyl-3-methyl-1-phenyl-2,4-dihydroquinolin-3-amine
SMILESCC[C@H]1c2ccccc2N(c2ccccc2)C[C@@]1(C)N
InChIInChI=1S/C18H22N2/c1-3-16-15-11-7-8-12-17(15)20(13-18(16,2)19)14-9-5-4-6-10-14/h4-12,16H,3,13,19H2,1-2H3/t16-,18+/m0/s1
InChIKeyWJDLKMWEXVEBMK-FUHWJXTLSA-N
XLogP4.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-ethyl-3-methyl-1-phenyl-2,4-dihydroquinolin-3-amine?
The IUPAC name of (3S,4S)-4-ethyl-3-methyl-1-phenyl-2,4-dihydroquinolin-3-amine (CID 153287574) is (3S,4S)-4-ethyl-3-methyl-1-phenyl-2,4-dihydroquinolin-3-amine.
What is the SMILES notation for (3S,4S)-4-ethyl-3-methyl-1-phenyl-2,4-dihydroquinolin-3-amine?
The canonical SMILES for (3S,4S)-4-ethyl-3-methyl-1-phenyl-2,4-dihydroquinolin-3-amine is CC[C@H]1c2ccccc2N(c2ccccc2)C[C@@]1(C)N.
What is the InChIKey of (3S,4S)-4-ethyl-3-methyl-1-phenyl-2,4-dihydroquinolin-3-amine?
The InChIKey is WJDLKMWEXVEBMK-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-16-15-11-7-8-12-17(15)20(13-18(16,2)19)14-9-5-4-6-10-14/h4-12,16H,3,13,19H2,1-2H3/t16-,18+/m0/s1.
What are the key properties of (3S,4S)-4-ethyl-3-methyl-1-phenyl-2,4-dihydroquinolin-3-amine?
(3S,4S)-4-ethyl-3-methyl-1-phenyl-2,4-dihydroquinolin-3-amine has a molecular weight of 266.39 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-ethyl-3-methyl-1-phenyl-2,4-dihydroquinolin-3-amine is sourced from PubChem (CID 153287574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).