N-tert-butylanthracen-2-amine

C18H19N — CID 170102220

IUPACN-tert-butylanthracen-2-amine
SMILESCC(C)(C)Nc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C18H19N/c1-18(2,3)19-17-9-8-15-10-13-6-4-5-7-14(13)11-16(15)12-17/h4-12,19H,1-3H3
InChIKeyCXCGRKWBOLGDHY-UHFFFAOYSA-N
MW249.36 g/mol
LogP5.20
Rot. Bonds1

About N-tert-butylanthracen-2-amine

N-tert-butylanthracen-2-amine (PubChem CID 170102220) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is N-tert-butylanthracen-2-amine.

Molecular Properties

Compound NameN-tert-butylanthracen-2-amine
PubChem CID170102220
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC NameN-tert-butylanthracen-2-amine
SMILESCC(C)(C)Nc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C18H19N/c1-18(2,3)19-17-9-8-15-10-13-6-4-5-7-14(13)11-16(15)12-17/h4-12,19H,1-3H3
InChIKeyCXCGRKWBOLGDHY-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.36
LogP ≤ 55.20
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 N-tert-butylanthracen-2-amine?
The IUPAC name of N-tert-butylanthracen-2-amine (CID 170102220) is N-tert-butylanthracen-2-amine.
What is the SMILES notation for N-tert-butylanthracen-2-amine?
The canonical SMILES for N-tert-butylanthracen-2-amine is CC(C)(C)Nc1ccc2cc3ccccc3cc2c1.
What is the InChIKey of N-tert-butylanthracen-2-amine?
The InChIKey is CXCGRKWBOLGDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-18(2,3)19-17-9-8-15-10-13-6-4-5-7-14(13)11-16(15)12-17/h4-12,19H,1-3H3.
What are the key properties of N-tert-butylanthracen-2-amine?
N-tert-butylanthracen-2-amine has a molecular weight of 249.36 g/mol, XLogP of 5.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylanthracen-2-amine is sourced from PubChem (CID 170102220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).