1-[5-bromo-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine

C18H21BrN2 — CID 82956367

IUPAC1-[5-bromo-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
SMILESCc1ccc2c(c1)CCCN2c1ccc(Br)cc1C(C)N
InChIInChI=1S/C18H21BrN2/c1-12-5-7-17-14(10-12)4-3-9-21(17)18-8-6-15(19)11-16(18)13(2)20/h5-8,10-11,13H,3-4,9,20H2,1-2H3
InChIKeyOUQKFZZBBGTFMF-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.86
Rot. Bonds2

About 1-[5-bromo-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine

1-[5-bromo-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine (PubChem CID 82956367) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 1-[5-bromo-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
PubChem CID82956367
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name1-[5-bromo-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
SMILESCc1ccc2c(c1)CCCN2c1ccc(Br)cc1C(C)N
InChIInChI=1S/C18H21BrN2/c1-12-5-7-17-14(10-12)4-3-9-21(17)18-8-6-15(19)11-16(18)13(2)20/h5-8,10-11,13H,3-4,9,20H2,1-2H3
InChIKeyOUQKFZZBBGTFMF-UHFFFAOYSA-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

Analyze 1-[5-bromo-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[3-bromo-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 78944297
4-bromo-2-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol
CID 82958799
4-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 63512094
4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 115468460
4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,1,3-benzoxadiazol-7-amine
CID 43518422
4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine
CID 106750204
3-amino-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 60989148
(1S)-1-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol
CID 63370631
3-bromo-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 102822631
(1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine
CID 79009222
2-chloro-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 63512095
5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzamide
CID 61305136

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[5-bromo-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine (CID 82956367) is 1-[5-bromo-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[5-bromo-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[5-bromo-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine is Cc1ccc2c(c1)CCCN2c1ccc(Br)cc1C(C)N.
What is the InChIKey of 1-[5-bromo-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The InChIKey is OUQKFZZBBGTFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c1-12-5-7-17-14(10-12)4-3-9-21(17)18-8-6-15(19)11-16(18)13(2)20/h5-8,10-11,13H,3-4,9,20H2,1-2H3.
What are the key properties of 1-[5-bromo-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
1-[5-bromo-2-(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 1-[5-bromo-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 82956367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).