(2,5-dibromophenyl)-quinolin-3-ylmethanamine

C16H12Br2N2 — CID 115798842

IUPAC(2,5-dibromophenyl)-quinolin-3-ylmethanamine
SMILESNC(c1cnc2ccccc2c1)c1cc(Br)ccc1Br
InChIInChI=1S/C16H12Br2N2/c17-12-5-6-14(18)13(8-12)16(19)11-7-10-3-1-2-4-15(10)20-9-11/h1-9,16H,19H2
InChIKeyXCANQZJNVLXPNV-UHFFFAOYSA-N
MW392.09 g/mol
LogP4.81
Rot. Bonds2

About (2,5-dibromophenyl)-quinolin-3-ylmethanamine

(2,5-dibromophenyl)-quinolin-3-ylmethanamine (PubChem CID 115798842) has the molecular formula C16H12Br2N2 and a molecular weight of 392.09 g/mol. Its IUPAC name is (2,5-dibromophenyl)-quinolin-3-ylmethanamine.

Molecular Properties

Compound Name(2,5-dibromophenyl)-quinolin-3-ylmethanamine
PubChem CID115798842
Molecular FormulaC16H12Br2N2
Molecular Weight392.09 g/mol
Exact Mass389.94
IUPAC Name(2,5-dibromophenyl)-quinolin-3-ylmethanamine
SMILESNC(c1cnc2ccccc2c1)c1cc(Br)ccc1Br
InChIInChI=1S/C16H12Br2N2/c17-12-5-6-14(18)13(8-12)16(19)11-7-10-3-1-2-4-15(10)20-9-11/h1-9,16H,19H2
InChIKeyXCANQZJNVLXPNV-UHFFFAOYSA-N
XLogP4.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.09
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-fluorophenyl)-quinolin-3-ylmethanamine
CID 66424075
(6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine
CID 115353747
(4-methyl-3-pyridinyl)-quinolin-3-ylmethanamine
CID 114877871
1-benzothiophen-3-yl(quinolin-3-yl)methanamine
CID 115797844
(3-chloro-2-fluorophenyl)-quinolin-3-ylmethanamine
CID 64712789
(5-methylthiophen-2-yl)-quinolin-3-ylmethanamine
CID 115798712
(2,5-dibromophenyl)-naphthalen-1-ylmethanamine
CID 43108974
1-(4-bromophenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 60923508
(R)-pyrazin-2-yl(quinolin-3-yl)methanamine
CID 93358826
quinolin-3-yl-(2,4,6-trifluorophenyl)methanamine
CID 115798580
(4,5-dimethylthiophen-2-yl)-quinolin-3-ylmethanamine
CID 115798523
(1S)-1-quinolin-3-ylbut-3-en-1-amine
CID 55271973

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-quinolin-3-ylmethanamine?
The IUPAC name of (2,5-dibromophenyl)-quinolin-3-ylmethanamine (CID 115798842) is (2,5-dibromophenyl)-quinolin-3-ylmethanamine.
What is the SMILES notation for (2,5-dibromophenyl)-quinolin-3-ylmethanamine?
The canonical SMILES for (2,5-dibromophenyl)-quinolin-3-ylmethanamine is NC(c1cnc2ccccc2c1)c1cc(Br)ccc1Br.
What is the InChIKey of (2,5-dibromophenyl)-quinolin-3-ylmethanamine?
The InChIKey is XCANQZJNVLXPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N2/c17-12-5-6-14(18)13(8-12)16(19)11-7-10-3-1-2-4-15(10)20-9-11/h1-9,16H,19H2.
What are the key properties of (2,5-dibromophenyl)-quinolin-3-ylmethanamine?
(2,5-dibromophenyl)-quinolin-3-ylmethanamine has a molecular weight of 392.09 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-quinolin-3-ylmethanamine is sourced from PubChem (CID 115798842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).