(3R,4S)-N,1-dibenzyl-3-methyl-3,4-dihydro-2H-quinolin-4-amine

C24H26N2 — CID 101357683

IUPAC(3R,4S)-N,1-dibenzyl-3-methyl-3,4-dihydro-2H-quinolin-4-amine
SMILESC[C@@H]1CN(Cc2ccccc2)c2ccccc2[C@H]1NCc1ccccc1
InChIInChI=1S/C24H26N2/c1-19-17-26(18-21-12-6-3-7-13-21)23-15-9-8-14-22(23)24(19)25-16-20-10-4-2-5-11-20/h2-15,19,24-25H,16-18H2,1H3/t19-,24+/m1/s1
InChIKeyRRUKLJHTVBKQLZ-DVECYGJZSA-N
MW342.49 g/mol
LogP5.17
Rot. Bonds5

About (3R,4S)-N,1-dibenzyl-3-methyl-3,4-dihydro-2H-quinolin-4-amine

(3R,4S)-N,1-dibenzyl-3-methyl-3,4-dihydro-2H-quinolin-4-amine (PubChem CID 101357683) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is (3R,4S)-N,1-dibenzyl-3-methyl-3,4-dihydro-2H-quinolin-4-amine.

Molecular Properties

Compound Name(3R,4S)-N,1-dibenzyl-3-methyl-3,4-dihydro-2H-quinolin-4-amine
PubChem CID101357683
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name(3R,4S)-N,1-dibenzyl-3-methyl-3,4-dihydro-2H-quinolin-4-amine
SMILESC[C@@H]1CN(Cc2ccccc2)c2ccccc2[C@H]1NCc1ccccc1
InChIInChI=1S/C24H26N2/c1-19-17-26(18-21-12-6-3-7-13-21)23-15-9-8-14-22(23)24(19)25-16-20-10-4-2-5-11-20/h2-15,19,24-25H,16-18H2,1H3/t19-,24+/m1/s1
InChIKeyRRUKLJHTVBKQLZ-DVECYGJZSA-N
XLogP5.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-N-benzyl-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 101384659
(3R,4S)-3-(benzylamino)-4-methyl-1-prop-2-enylpyrrolidin-2-one
CID 102122782
1-benzyl-3-(benzylamino)azetidin-2-one
CID 86116144
1-benzyl-3,4-dihydro-2H-quinolin-4-ol
CID 114337756
(3R)-1-benzyl-3-methyl-5-phenylmethoxy-2,3-dihydroindole
CID 15437709
N,1-dibenzyl-5-methylpiperidin-3-amine
CID 83993568
1-[(4-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565498
(3R)-1-benzyl-4-fluoro-3-methyl-2,3-dihydroindole
CID 135054757
(3R,5S)-1-benzyl-3,5-dimethyl-4-(oxan-4-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine
CID 134153676
(3R,5S)-N-benzyl-3,5-dimethyl-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
CID 134147890
(3R,5S)-N,1-dibenzyl-3,5-dimethyl-3,5-dihydro-2H-pyrido[4,3-e][1,4]diazepine-4-carboxamide
CID 134143901
1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N,1-dibenzyl-3-methyl-3,4-dihydro-2H-quinolin-4-amine?
The IUPAC name of (3R,4S)-N,1-dibenzyl-3-methyl-3,4-dihydro-2H-quinolin-4-amine (CID 101357683) is (3R,4S)-N,1-dibenzyl-3-methyl-3,4-dihydro-2H-quinolin-4-amine.
What is the SMILES notation for (3R,4S)-N,1-dibenzyl-3-methyl-3,4-dihydro-2H-quinolin-4-amine?
The canonical SMILES for (3R,4S)-N,1-dibenzyl-3-methyl-3,4-dihydro-2H-quinolin-4-amine is C[C@@H]1CN(Cc2ccccc2)c2ccccc2[C@H]1NCc1ccccc1.
What is the InChIKey of (3R,4S)-N,1-dibenzyl-3-methyl-3,4-dihydro-2H-quinolin-4-amine?
The InChIKey is RRUKLJHTVBKQLZ-DVECYGJZSA-N. The full InChI is InChI=1S/C24H26N2/c1-19-17-26(18-21-12-6-3-7-13-21)23-15-9-8-14-22(23)24(19)25-16-20-10-4-2-5-11-20/h2-15,19,24-25H,16-18H2,1H3/t19-,24+/m1/s1.
What are the key properties of (3R,4S)-N,1-dibenzyl-3-methyl-3,4-dihydro-2H-quinolin-4-amine?
(3R,4S)-N,1-dibenzyl-3-methyl-3,4-dihydro-2H-quinolin-4-amine has a molecular weight of 342.49 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N,1-dibenzyl-3-methyl-3,4-dihydro-2H-quinolin-4-amine is sourced from PubChem (CID 101357683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).