(10-chloroanthracen-9-yl)methanamine

C15H12ClN — CID 15476698

IUPAC(10-chloroanthracen-9-yl)methanamine
SMILESNCc1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C15H12ClN/c16-15-12-7-3-1-5-10(12)14(9-17)11-6-2-4-8-13(11)15/h1-8H,9,17H2
InChIKeyHPBNFNAAAHQGNY-UHFFFAOYSA-N
MW241.72 g/mol
LogP4.11
Rot. Bonds1

About (10-chloroanthracen-9-yl)methanamine

(10-chloroanthracen-9-yl)methanamine (PubChem CID 15476698) has the molecular formula C15H12ClN and a molecular weight of 241.72 g/mol. Its IUPAC name is (10-chloroanthracen-9-yl)methanamine.

Molecular Properties

Compound Name(10-chloroanthracen-9-yl)methanamine
PubChem CID15476698
Molecular FormulaC15H12ClN
Molecular Weight241.72 g/mol
Exact Mass241.07
IUPAC Name(10-chloroanthracen-9-yl)methanamine
SMILESNCc1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C15H12ClN/c16-15-12-7-3-1-5-10(12)14(9-17)11-6-2-4-8-13(11)15/h1-8H,9,17H2
InChIKeyHPBNFNAAAHQGNY-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10-chloroanthracen-9-yl)methanamine?
The IUPAC name of (10-chloroanthracen-9-yl)methanamine (CID 15476698) is (10-chloroanthracen-9-yl)methanamine.
What is the SMILES notation for (10-chloroanthracen-9-yl)methanamine?
The canonical SMILES for (10-chloroanthracen-9-yl)methanamine is NCc1c2ccccc2c(Cl)c2ccccc12.
What is the InChIKey of (10-chloroanthracen-9-yl)methanamine?
The InChIKey is HPBNFNAAAHQGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN/c16-15-12-7-3-1-5-10(12)14(9-17)11-6-2-4-8-13(11)15/h1-8H,9,17H2.
What are the key properties of (10-chloroanthracen-9-yl)methanamine?
(10-chloroanthracen-9-yl)methanamine has a molecular weight of 241.72 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10-chloroanthracen-9-yl)methanamine is sourced from PubChem (CID 15476698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).