N-(4-methoxybutyl)-N-phenylnaphthalen-1-amine

C21H23NO — CID 147894052

IUPACN-(4-methoxybutyl)-N-phenylnaphthalen-1-amine
SMILESCOCCCCN(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H23NO/c1-23-17-8-7-16-22(19-12-3-2-4-13-19)21-15-9-11-18-10-5-6-14-20(18)21/h2-6,9-15H,7-8,16-17H2,1H3
InChIKeyICYJKSOZMQOWQU-UHFFFAOYSA-N
MW305.42 g/mol
LogP5.40
Rot. Bonds7

About N-(4-methoxybutyl)-N-phenylnaphthalen-1-amine

N-(4-methoxybutyl)-N-phenylnaphthalen-1-amine (PubChem CID 147894052) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(4-methoxybutyl)-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-(4-methoxybutyl)-N-phenylnaphthalen-1-amine
PubChem CID147894052
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC NameN-(4-methoxybutyl)-N-phenylnaphthalen-1-amine
SMILESCOCCCCN(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H23NO/c1-23-17-8-7-16-22(19-12-3-2-4-13-19)21-15-9-11-18-10-5-6-14-20(18)21/h2-6,9-15H,7-8,16-17H2,1H3
InChIKeyICYJKSOZMQOWQU-UHFFFAOYSA-N
XLogP5.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.40
H-Bond Donors ≤ 50
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)-N-phenylnaphthalen-1-amine?
The IUPAC name of N-(4-methoxybutyl)-N-phenylnaphthalen-1-amine (CID 147894052) is N-(4-methoxybutyl)-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-(4-methoxybutyl)-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-(4-methoxybutyl)-N-phenylnaphthalen-1-amine is COCCCCN(c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-(4-methoxybutyl)-N-phenylnaphthalen-1-amine?
The InChIKey is ICYJKSOZMQOWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-23-17-8-7-16-22(19-12-3-2-4-13-19)21-15-9-11-18-10-5-6-14-20(18)21/h2-6,9-15H,7-8,16-17H2,1H3.
What are the key properties of N-(4-methoxybutyl)-N-phenylnaphthalen-1-amine?
N-(4-methoxybutyl)-N-phenylnaphthalen-1-amine has a molecular weight of 305.42 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 147894052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).