N-(4-methoxybutan-2-yl)-9,10-dihydroanthracen-9-amine

C19H23NO — CID 64605041

IUPACN-(4-methoxybutan-2-yl)-9,10-dihydroanthracen-9-amine
SMILESCOCCC(C)NC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C19H23NO/c1-14(11-12-21-2)20-19-17-9-5-3-7-15(17)13-16-8-4-6-10-18(16)19/h3-10,14,19-20H,11-13H2,1-2H3
InChIKeyFQUXJWJWFHARQD-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.69
Rot. Bonds5

About N-(4-methoxybutan-2-yl)-9,10-dihydroanthracen-9-amine

N-(4-methoxybutan-2-yl)-9,10-dihydroanthracen-9-amine (PubChem CID 64605041) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-9,10-dihydroanthracen-9-amine.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-9,10-dihydroanthracen-9-amine
PubChem CID64605041
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-(4-methoxybutan-2-yl)-9,10-dihydroanthracen-9-amine
SMILESCOCCC(C)NC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C19H23NO/c1-14(11-12-21-2)20-19-17-9-5-3-7-15(17)13-16-8-4-6-10-18(16)19/h3-10,14,19-20H,11-13H2,1-2H3
InChIKeyFQUXJWJWFHARQD-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-9,10-dihydroanthracen-9-amine?
The IUPAC name of N-(4-methoxybutan-2-yl)-9,10-dihydroanthracen-9-amine (CID 64605041) is N-(4-methoxybutan-2-yl)-9,10-dihydroanthracen-9-amine.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-9,10-dihydroanthracen-9-amine?
The canonical SMILES for N-(4-methoxybutan-2-yl)-9,10-dihydroanthracen-9-amine is COCCC(C)NC1c2ccccc2Cc2ccccc21.
What is the InChIKey of N-(4-methoxybutan-2-yl)-9,10-dihydroanthracen-9-amine?
The InChIKey is FQUXJWJWFHARQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14(11-12-21-2)20-19-17-9-5-3-7-15(17)13-16-8-4-6-10-18(16)19/h3-10,14,19-20H,11-13H2,1-2H3.
What are the key properties of N-(4-methoxybutan-2-yl)-9,10-dihydroanthracen-9-amine?
N-(4-methoxybutan-2-yl)-9,10-dihydroanthracen-9-amine has a molecular weight of 281.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-9,10-dihydroanthracen-9-amine is sourced from PubChem (CID 64605041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).