2,3-dihydroanthracen-1-amine

C14H13N — CID 91284277

IUPAC2,3-dihydroanthracen-1-amine
SMILESNC1=c2cc3ccccc3cc2=CCC1
InChIInChI=1S/C14H13N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-2,4-6,8-9H,3,7,15H2
InChIKeyROHLQQGHQBYJJX-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.48
Rot. Bonds

About 2,3-dihydroanthracen-1-amine

2,3-dihydroanthracen-1-amine (PubChem CID 91284277) has the molecular formula C14H13N and a molecular weight of 195.27 g/mol. Its IUPAC name is 2,3-dihydroanthracen-1-amine.

Molecular Properties

Compound Name2,3-dihydroanthracen-1-amine
PubChem CID91284277
Molecular FormulaC14H13N
Molecular Weight195.27 g/mol
Exact Mass195.10
IUPAC Name2,3-dihydroanthracen-1-amine
SMILESNC1=c2cc3ccccc3cc2=CCC1
InChIInChI=1S/C14H13N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-2,4-6,8-9H,3,7,15H2
InChIKeyROHLQQGHQBYJJX-UHFFFAOYSA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroanthracen-1-amine?
The IUPAC name of 2,3-dihydroanthracen-1-amine (CID 91284277) is 2,3-dihydroanthracen-1-amine.
What is the SMILES notation for 2,3-dihydroanthracen-1-amine?
The canonical SMILES for 2,3-dihydroanthracen-1-amine is NC1=c2cc3ccccc3cc2=CCC1.
What is the InChIKey of 2,3-dihydroanthracen-1-amine?
The InChIKey is ROHLQQGHQBYJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-2,4-6,8-9H,3,7,15H2.
What are the key properties of 2,3-dihydroanthracen-1-amine?
2,3-dihydroanthracen-1-amine has a molecular weight of 195.27 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroanthracen-1-amine is sourced from PubChem (CID 91284277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).