7-bromo-2-methyl-1,2,3,4-tetrahydroquinoline

C10H12BrN — CID 70875781

IUPAC7-bromo-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2ccc(Br)cc2N1
InChIInChI=1S/C10H12BrN/c1-7-2-3-8-4-5-9(11)6-10(8)12-7/h4-7,12H,2-3H2,1H3
InChIKeyHOEWIIPWCGBXQN-UHFFFAOYSA-N
MW226.12 g/mol
LogP3.20
Rot. Bonds

About 7-bromo-2-methyl-1,2,3,4-tetrahydroquinoline

7-bromo-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 70875781) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 7-bromo-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-bromo-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID70875781
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name7-bromo-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2ccc(Br)cc2N1
InChIInChI=1S/C10H12BrN/c1-7-2-3-8-4-5-9(11)6-10(8)12-7/h4-7,12H,2-3H2,1H3
InChIKeyHOEWIIPWCGBXQN-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4-Tetrahydroquinoline
CID 69460
2-Methyl-1,2,3,4-tetrahydroquinoline
CID 96289
Ver-3323
CID 6604042
N-(3-bromophenyl)-1-phenethyl-piperidin-4-amine
CID 52934003
6-Bromo-1,2,3,4-tetrahydroquinoline
CID 4715029
6-Fluoro-2-methyl-1,2,3,4-tetrahydroquinoline
CID 591684
N-Benzyl-3-bromoaniline
CID 9965096
(2S)-6-Fluoro-2-methyl-1,2,3,4-tetrahydroquinoline
CID 853158
(R)-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline
CID 853159
Benzyl(3,5-dibromo-phenyl)-amine
CID 10640949
2-Pentyl-1,2,3,4-tetrahydroquinoline
CID 14299242
2-Propyl-1,2,3,4-tetrahydroquinoline
CID 10511462

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-bromo-2-methyl-1,2,3,4-tetrahydroquinoline (CID 70875781) is 7-bromo-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-bromo-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-bromo-2-methyl-1,2,3,4-tetrahydroquinoline is CC1CCc2ccc(Br)cc2N1.
What is the InChIKey of 7-bromo-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is HOEWIIPWCGBXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c1-7-2-3-8-4-5-9(11)6-10(8)12-7/h4-7,12H,2-3H2,1H3.
What are the key properties of 7-bromo-2-methyl-1,2,3,4-tetrahydroquinoline?
7-bromo-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 226.12 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 70875781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).