(7-bromo-1-phenylnaphthalen-2-yl)methanamine

C17H14BrN — CID 115057609

IUPAC(7-bromo-1-phenylnaphthalen-2-yl)methanamine
SMILESNCc1ccc2ccc(Br)cc2c1-c1ccccc1
InChIInChI=1S/C17H14BrN/c18-15-9-8-12-6-7-14(11-19)17(16(12)10-15)13-4-2-1-3-5-13/h1-10H,11,19H2
InChIKeyVDJNABAIGBESNN-UHFFFAOYSA-N
MW312.21 g/mol
LogP4.73
Rot. Bonds2

About (7-bromo-1-phenylnaphthalen-2-yl)methanamine

(7-bromo-1-phenylnaphthalen-2-yl)methanamine (PubChem CID 115057609) has the molecular formula C17H14BrN and a molecular weight of 312.21 g/mol. Its IUPAC name is (7-bromo-1-phenylnaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(7-bromo-1-phenylnaphthalen-2-yl)methanamine
PubChem CID115057609
Molecular FormulaC17H14BrN
Molecular Weight312.21 g/mol
Exact Mass311.03
IUPAC Name(7-bromo-1-phenylnaphthalen-2-yl)methanamine
SMILESNCc1ccc2ccc(Br)cc2c1-c1ccccc1
InChIInChI=1S/C17H14BrN/c18-15-9-8-12-6-7-14(11-19)17(16(12)10-15)13-4-2-1-3-5-13/h1-10H,11,19H2
InChIKeyVDJNABAIGBESNN-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (7-bromo-1-phenylnaphthalen-2-yl)methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-phenylnaphthalen-2-yl)methanamine?
The IUPAC name of (7-bromo-1-phenylnaphthalen-2-yl)methanamine (CID 115057609) is (7-bromo-1-phenylnaphthalen-2-yl)methanamine.
What is the SMILES notation for (7-bromo-1-phenylnaphthalen-2-yl)methanamine?
The canonical SMILES for (7-bromo-1-phenylnaphthalen-2-yl)methanamine is NCc1ccc2ccc(Br)cc2c1-c1ccccc1.
What is the InChIKey of (7-bromo-1-phenylnaphthalen-2-yl)methanamine?
The InChIKey is VDJNABAIGBESNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN/c18-15-9-8-12-6-7-14(11-19)17(16(12)10-15)13-4-2-1-3-5-13/h1-10H,11,19H2.
What are the key properties of (7-bromo-1-phenylnaphthalen-2-yl)methanamine?
(7-bromo-1-phenylnaphthalen-2-yl)methanamine has a molecular weight of 312.21 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-phenylnaphthalen-2-yl)methanamine is sourced from PubChem (CID 115057609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).