(1R)-1-[3-bromo-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine

C18H21BrN2 — CID 78944297

IUPAC(1R)-1-[3-bromo-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
SMILESCc1ccc2c(c1)CCCN2c1ccc([C@@H](C)N)cc1Br
InChIInChI=1S/C18H21BrN2/c1-12-5-7-17-15(10-12)4-3-9-21(17)18-8-6-14(13(2)20)11-16(18)19/h5-8,10-11,13H,3-4,9,20H2,1-2H3/t13-/m1/s1
InChIKeySZSJLNVKRMIWNT-CYBMUJFWSA-N
MW345.28 g/mol
LogP4.86
Rot. Bonds2

About (1R)-1-[3-bromo-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine

(1R)-1-[3-bromo-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine (PubChem CID 78944297) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
PubChem CID78944297
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name(1R)-1-[3-bromo-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
SMILESCc1ccc2c(c1)CCCN2c1ccc([C@@H](C)N)cc1Br
InChIInChI=1S/C18H21BrN2/c1-12-5-7-17-15(10-12)4-3-9-21(17)18-8-6-14(13(2)20)11-16(18)19/h5-8,10-11,13H,3-4,9,20H2,1-2H3/t13-/m1/s1
InChIKeySZSJLNVKRMIWNT-CYBMUJFWSA-N
XLogP4.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Bromophenyl)-1-[2-(6-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethyl]urea
CID 10150598
6-Bromo-2-methyl-1,2,3,4-tetrahydroquinoline
CID 264808
(3aR,4S,9bS)-8-bromo-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 26155642
(3aR,4S,9bS)-4-(3-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 145977280
4-(2-bromophenyl)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 3318033
(2R,4S)-2,6-dimethyl-N-(p-tolyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 1133340
8-Bromo-2-methyl-1,2,3,4-tetrahydroquinoline hydrochloride
CID 165468131
(3aS,4R,9bR)-4-(2-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 6620895
8-Bromo-6-methyl-1,2,3,4-tetrahydroquinoline
CID 16784853
(2S)-6-bromo-2-methyl-1,2,3,4-tetrahydroquinoline
CID 56971724
2-(4-Bromophenyl)-1,2,3,4-tetrahydroquinoline
CID 69514978
6-Methyl-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 135053975

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-bromo-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine (CID 78944297) is (1R)-1-[3-bromo-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-bromo-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-bromo-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine is Cc1ccc2c(c1)CCCN2c1ccc([C@@H](C)N)cc1Br.
What is the InChIKey of (1R)-1-[3-bromo-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The InChIKey is SZSJLNVKRMIWNT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21BrN2/c1-12-5-7-17-15(10-12)4-3-9-21(17)18-8-6-14(13(2)20)11-16(18)19/h5-8,10-11,13H,3-4,9,20H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
(1R)-1-[3-bromo-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine has a molecular weight of 345.28 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 78944297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).