(3-bromo-9,10-dihydroanthracen-9-yl)methanamine

C15H14BrN — CID 25139014

IUPAC(3-bromo-9,10-dihydroanthracen-9-yl)methanamine
SMILESNCC1c2ccccc2Cc2cc(Br)ccc21
InChIInChI=1S/C15H14BrN/c16-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)15(14)9-17/h1-6,8,15H,7,9,17H2
InChIKeyLVTUDYZTQRSARZ-UHFFFAOYSA-N
MW288.19 g/mol
LogP3.44
Rot. Bonds1

About (3-bromo-9,10-dihydroanthracen-9-yl)methanamine

(3-bromo-9,10-dihydroanthracen-9-yl)methanamine (PubChem CID 25139014) has the molecular formula C15H14BrN and a molecular weight of 288.19 g/mol. Its IUPAC name is (3-bromo-9,10-dihydroanthracen-9-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-9,10-dihydroanthracen-9-yl)methanamine
PubChem CID25139014
Molecular FormulaC15H14BrN
Molecular Weight288.19 g/mol
Exact Mass287.03
IUPAC Name(3-bromo-9,10-dihydroanthracen-9-yl)methanamine
SMILESNCC1c2ccccc2Cc2cc(Br)ccc21
InChIInChI=1S/C15H14BrN/c16-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)15(14)9-17/h1-6,8,15H,7,9,17H2
InChIKeyLVTUDYZTQRSARZ-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-9,10-dihydroanthracen-9-yl)methanamine?
The IUPAC name of (3-bromo-9,10-dihydroanthracen-9-yl)methanamine (CID 25139014) is (3-bromo-9,10-dihydroanthracen-9-yl)methanamine.
What is the SMILES notation for (3-bromo-9,10-dihydroanthracen-9-yl)methanamine?
The canonical SMILES for (3-bromo-9,10-dihydroanthracen-9-yl)methanamine is NCC1c2ccccc2Cc2cc(Br)ccc21.
What is the InChIKey of (3-bromo-9,10-dihydroanthracen-9-yl)methanamine?
The InChIKey is LVTUDYZTQRSARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN/c16-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)15(14)9-17/h1-6,8,15H,7,9,17H2.
What are the key properties of (3-bromo-9,10-dihydroanthracen-9-yl)methanamine?
(3-bromo-9,10-dihydroanthracen-9-yl)methanamine has a molecular weight of 288.19 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-9,10-dihydroanthracen-9-yl)methanamine is sourced from PubChem (CID 25139014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).