(2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine

C17H15BrN2 — CID 107985270

IUPAC(2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine
SMILESCc1cccc(C(N)c2cccc3ncccc23)c1Br
InChIInChI=1S/C17H15BrN2/c1-11-5-2-7-14(16(11)18)17(19)13-6-3-9-15-12(13)8-4-10-20-15/h2-10,17H,19H2,1H3
InChIKeyQXUDGQDUXNELKS-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.35
Rot. Bonds2

About (2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine

(2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine (PubChem CID 107985270) has the molecular formula C17H15BrN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine
PubChem CID107985270
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC Name(2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine
SMILESCc1cccc(C(N)c2cccc3ncccc23)c1Br
InChIInChI=1S/C17H15BrN2/c1-11-5-2-7-14(16(11)18)17(19)13-6-3-9-15-12(13)8-4-10-20-15/h2-10,17H,19H2,1H3
InChIKeyQXUDGQDUXNELKS-UHFFFAOYSA-N
XLogP4.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanamine
CID 105020248
(2-methylfuran-3-yl)-quinolin-5-ylmethanamine
CID 104789805
(3-bromo-5-methylphenyl)-quinolin-5-ylmethanamine
CID 105020152
(2-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine
CID 107982030
(1R)-1-quinolin-5-ylethanamine
CID 55277010
(2-chlorophenyl)-quinolin-5-ylmethanamine
CID 81231454
(2-fluoro-5-methylphenyl)-quinolin-5-ylmethanamine
CID 105020084
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
(5-methylpyrazin-2-yl)-quinolin-5-ylmethanamine
CID 105171984
(2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine
CID 105174775
2-(2-methylphenyl)sulfanyl-1-quinolin-5-ylethanamine
CID 81229140

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine?
The IUPAC name of (2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine (CID 107985270) is (2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine.
What is the SMILES notation for (2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine?
The canonical SMILES for (2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine is Cc1cccc(C(N)c2cccc3ncccc23)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine?
The InChIKey is QXUDGQDUXNELKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c1-11-5-2-7-14(16(11)18)17(19)13-6-3-9-15-12(13)8-4-10-20-15/h2-10,17H,19H2,1H3.
What are the key properties of (2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine?
(2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine has a molecular weight of 327.23 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine is sourced from PubChem (CID 107985270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).