(6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine

C17H12Br3N — CID 115353747

IUPAC(6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine
SMILESNC(c1ccc2cc(Br)ccc2c1)c1cc(Br)ccc1Br
InChIInChI=1S/C17H12Br3N/c18-13-4-3-10-7-12(2-1-11(10)8-13)17(21)15-9-14(19)5-6-16(15)20/h1-9,17H,21H2
InChIKeyHKLHVHWPAZONQY-UHFFFAOYSA-N
MW470.00 g/mol
LogP6.18
Rot. Bonds2

About (6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine

(6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine (PubChem CID 115353747) has the molecular formula C17H12Br3N and a molecular weight of 470.00 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine
PubChem CID115353747
Molecular FormulaC17H12Br3N
Molecular Weight470.00 g/mol
Exact Mass466.85
IUPAC Name(6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine
SMILESNC(c1ccc2cc(Br)ccc2c1)c1cc(Br)ccc1Br
InChIInChI=1S/C17H12Br3N/c18-13-4-3-10-7-12(2-1-11(10)8-13)17(21)15-9-14(19)5-6-16(15)20/h1-9,17H,21H2
InChIKeyHKLHVHWPAZONQY-UHFFFAOYSA-N
XLogP6.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.00
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43097516
(5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine
CID 115851118
(6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine
CID 115353742
(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 43104550
(6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 115852564
(S)-(2,5-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171244775
(2,5-dibromophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283090
(2,5-dibromophenyl)-quinolin-3-ylmethanamine
CID 115798842
(2,5-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 114368817
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281
(2,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 114368823
(6-bromonaphthalen-2-yl)-(6-methyl-3-pyridinyl)methanamine
CID 115855045

Frequently Asked Questions

What is the IUPAC name of (6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine?
The IUPAC name of (6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine (CID 115353747) is (6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine.
What is the SMILES notation for (6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine?
The canonical SMILES for (6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine is NC(c1ccc2cc(Br)ccc2c1)c1cc(Br)ccc1Br.
What is the InChIKey of (6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine?
The InChIKey is HKLHVHWPAZONQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br3N/c18-13-4-3-10-7-12(2-1-11(10)8-13)17(21)15-9-14(19)5-6-16(15)20/h1-9,17H,21H2.
What are the key properties of (6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine?
(6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine has a molecular weight of 470.00 g/mol, XLogP of 6.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine is sourced from PubChem (CID 115353747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).