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

C17H15BrN2 — CID 105020152

IUPAC(3-bromo-5-methylphenyl)-quinolin-5-ylmethanamine
SMILESCc1cc(Br)cc(C(N)c2cccc3ncccc23)c1
InChIInChI=1S/C17H15BrN2/c1-11-8-12(10-13(18)9-11)17(19)15-4-2-6-16-14(15)5-3-7-20-16/h2-10,17H,19H2,1H3
InChIKeyONAGZWMEFJNSIB-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.35
Rot. Bonds2

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

(3-bromo-5-methylphenyl)-quinolin-5-ylmethanamine (PubChem CID 105020152) has the molecular formula C17H15BrN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-quinolin-5-ylmethanamine.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-quinolin-5-ylmethanamine
PubChem CID105020152
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC Name(3-bromo-5-methylphenyl)-quinolin-5-ylmethanamine
SMILESCc1cc(Br)cc(C(N)c2cccc3ncccc23)c1
InChIInChI=1S/C17H15BrN2/c1-11-8-12(10-13(18)9-11)17(19)15-4-2-6-16-14(15)5-3-7-20-16/h2-10,17H,19H2,1H3
InChIKeyONAGZWMEFJNSIB-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

(3,5-difluorophenyl)-quinolin-5-ylmethanamine
CID 81231952
(2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine
CID 107985270
(3,5-dibromophenyl)-quinolin-5-ylmethanol
CID 107978579
(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanamine
CID 105020248
1-(3,5-dimethylphenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020075
(2-fluoro-5-methylphenyl)-quinolin-5-ylmethanamine
CID 105020084
(3-methoxy-4-methylphenyl)-quinolin-5-ylmethanamine
CID 105020144
(5-methyl-3-pyridinyl)-quinolin-4-ylmethanamine
CID 105173960
(1R)-1-quinolin-5-ylethanamine
CID 55277010
[3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine
CID 67722769
(5-fluoro-3-pyridinyl)-quinolin-5-ylmethanamine
CID 105102211
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-quinolin-5-ylmethanamine?
The IUPAC name of (3-bromo-5-methylphenyl)-quinolin-5-ylmethanamine (CID 105020152) is (3-bromo-5-methylphenyl)-quinolin-5-ylmethanamine.
What is the SMILES notation for (3-bromo-5-methylphenyl)-quinolin-5-ylmethanamine?
The canonical SMILES for (3-bromo-5-methylphenyl)-quinolin-5-ylmethanamine is Cc1cc(Br)cc(C(N)c2cccc3ncccc23)c1.
What is the InChIKey of (3-bromo-5-methylphenyl)-quinolin-5-ylmethanamine?
The InChIKey is ONAGZWMEFJNSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c1-11-8-12(10-13(18)9-11)17(19)15-4-2-6-16-14(15)5-3-7-20-16/h2-10,17H,19H2,1H3.
What are the key properties of (3-bromo-5-methylphenyl)-quinolin-5-ylmethanamine?
(3-bromo-5-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 (3-bromo-5-methylphenyl)-quinolin-5-ylmethanamine is sourced from PubChem (CID 105020152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).