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

C17H19BrN2 — CID 114889438

IUPAC[5-bromo-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanamine
SMILESCC1CCc2ccccc2N1c1ccc(Br)cc1CN
InChIInChI=1S/C17H19BrN2/c1-12-6-7-13-4-2-3-5-16(13)20(12)17-9-8-15(18)10-14(17)11-19/h2-5,8-10,12H,6-7,11,19H2,1H3
InChIKeyWWFGITAGLXYMDH-UHFFFAOYSA-N
MW331.26 g/mol
LogP4.38
Rot. Bonds2

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

[5-bromo-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanamine (PubChem CID 114889438) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is [5-bromo-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanamine
PubChem CID114889438
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC Name[5-bromo-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanamine
SMILESCC1CCc2ccccc2N1c1ccc(Br)cc1CN
InChIInChI=1S/C17H19BrN2/c1-12-6-7-13-4-2-3-5-16(13)20(12)17-9-8-15(18)10-14(17)11-19/h2-5,8-10,12H,6-7,11,19H2,1H3
InChIKeyWWFGITAGLXYMDH-UHFFFAOYSA-N
XLogP4.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanamine?
The IUPAC name of [5-bromo-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanamine (CID 114889438) is [5-bromo-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanamine?
The canonical SMILES for [5-bromo-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanamine is CC1CCc2ccccc2N1c1ccc(Br)cc1CN.
What is the InChIKey of [5-bromo-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanamine?
The InChIKey is WWFGITAGLXYMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c1-12-6-7-13-4-2-3-5-16(13)20(12)17-9-8-15(18)10-14(17)11-19/h2-5,8-10,12H,6-7,11,19H2,1H3.
What are the key properties of [5-bromo-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanamine?
[5-bromo-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanamine has a molecular weight of 331.26 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanamine is sourced from PubChem (CID 114889438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).