N-(4-methoxybutyl)-9,10-dihydroanthracen-9-amine

C19H23NO — CID 62921270

IUPACN-(4-methoxybutyl)-9,10-dihydroanthracen-9-amine
SMILESCOCCCCNC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C19H23NO/c1-21-13-7-6-12-20-19-17-10-4-2-8-15(17)14-16-9-3-5-11-18(16)19/h2-5,8-11,19-20H,6-7,12-14H2,1H3
InChIKeyJXPVTKLFHOPJOC-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.70
Rot. Bonds6

About N-(4-methoxybutyl)-9,10-dihydroanthracen-9-amine

N-(4-methoxybutyl)-9,10-dihydroanthracen-9-amine (PubChem CID 62921270) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(4-methoxybutyl)-9,10-dihydroanthracen-9-amine.

Molecular Properties

Compound NameN-(4-methoxybutyl)-9,10-dihydroanthracen-9-amine
PubChem CID62921270
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-(4-methoxybutyl)-9,10-dihydroanthracen-9-amine
SMILESCOCCCCNC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C19H23NO/c1-21-13-7-6-12-20-19-17-10-4-2-8-15(17)14-16-9-3-5-11-18(16)19/h2-5,8-11,19-20H,6-7,12-14H2,1H3
InChIKeyJXPVTKLFHOPJOC-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-9,10-dihydroanthracen-9-amine?
The IUPAC name of N-(4-methoxybutyl)-9,10-dihydroanthracen-9-amine (CID 62921270) is N-(4-methoxybutyl)-9,10-dihydroanthracen-9-amine.
What is the SMILES notation for N-(4-methoxybutyl)-9,10-dihydroanthracen-9-amine?
The canonical SMILES for N-(4-methoxybutyl)-9,10-dihydroanthracen-9-amine is COCCCCNC1c2ccccc2Cc2ccccc21.
What is the InChIKey of N-(4-methoxybutyl)-9,10-dihydroanthracen-9-amine?
The InChIKey is JXPVTKLFHOPJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-21-13-7-6-12-20-19-17-10-4-2-8-15(17)14-16-9-3-5-11-18(16)19/h2-5,8-11,19-20H,6-7,12-14H2,1H3.
What are the key properties of N-(4-methoxybutyl)-9,10-dihydroanthracen-9-amine?
N-(4-methoxybutyl)-9,10-dihydroanthracen-9-amine has a molecular weight of 281.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-9,10-dihydroanthracen-9-amine is sourced from PubChem (CID 62921270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).