1-(10-bromoanthracen-9-yl)propan-2-amine

C17H16BrN — CID 24939279

IUPAC1-(10-bromoanthracen-9-yl)propan-2-amine
SMILESCC(N)Cc1c2ccccc2c(Br)c2ccccc12
InChIInChI=1S/C17H16BrN/c1-11(19)10-16-12-6-2-4-8-14(12)17(18)15-9-5-3-7-13(15)16/h2-9,11H,10,19H2,1H3
InChIKeyTUYLBDQSCRSJBH-UHFFFAOYSA-N
MW314.23 g/mol
LogP4.65
Rot. Bonds2

About 1-(10-bromoanthracen-9-yl)propan-2-amine

1-(10-bromoanthracen-9-yl)propan-2-amine (PubChem CID 24939279) has the molecular formula C17H16BrN and a molecular weight of 314.23 g/mol. Its IUPAC name is 1-(10-bromoanthracen-9-yl)propan-2-amine.

Molecular Properties

Compound Name1-(10-bromoanthracen-9-yl)propan-2-amine
PubChem CID24939279
Molecular FormulaC17H16BrN
Molecular Weight314.23 g/mol
Exact Mass313.05
IUPAC Name1-(10-bromoanthracen-9-yl)propan-2-amine
SMILESCC(N)Cc1c2ccccc2c(Br)c2ccccc12
InChIInChI=1S/C17H16BrN/c1-11(19)10-16-12-6-2-4-8-14(12)17(18)15-9-5-3-7-13(15)16/h2-9,11H,10,19H2,1H3
InChIKeyTUYLBDQSCRSJBH-UHFFFAOYSA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 54.65
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 1-(10-bromoanthracen-9-yl)propan-2-amine?
The IUPAC name of 1-(10-bromoanthracen-9-yl)propan-2-amine (CID 24939279) is 1-(10-bromoanthracen-9-yl)propan-2-amine.
What is the SMILES notation for 1-(10-bromoanthracen-9-yl)propan-2-amine?
The canonical SMILES for 1-(10-bromoanthracen-9-yl)propan-2-amine is CC(N)Cc1c2ccccc2c(Br)c2ccccc12.
What is the InChIKey of 1-(10-bromoanthracen-9-yl)propan-2-amine?
The InChIKey is TUYLBDQSCRSJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN/c1-11(19)10-16-12-6-2-4-8-14(12)17(18)15-9-5-3-7-13(15)16/h2-9,11H,10,19H2,1H3.
What are the key properties of 1-(10-bromoanthracen-9-yl)propan-2-amine?
1-(10-bromoanthracen-9-yl)propan-2-amine has a molecular weight of 314.23 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-bromoanthracen-9-yl)propan-2-amine is sourced from PubChem (CID 24939279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).