4-phenylmethoxynaphthalen-1-amine

C17H15NO — CID 23120763

IUPAC4-phenylmethoxynaphthalen-1-amine
SMILESNc1ccc(OCc2ccccc2)c2ccccc12
InChIInChI=1S/C17H15NO/c18-16-10-11-17(15-9-5-4-8-14(15)16)19-12-13-6-2-1-3-7-13/h1-11H,12,18H2
InChIKeyDQDSECJYWOSGGA-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.00
Rot. Bonds3

About 4-phenylmethoxynaphthalen-1-amine

4-phenylmethoxynaphthalen-1-amine (PubChem CID 23120763) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-phenylmethoxynaphthalen-1-amine.

Molecular Properties

Compound Name4-phenylmethoxynaphthalen-1-amine
PubChem CID23120763
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name4-phenylmethoxynaphthalen-1-amine
SMILESNc1ccc(OCc2ccccc2)c2ccccc12
InChIInChI=1S/C17H15NO/c18-16-10-11-17(15-9-5-4-8-14(15)16)19-12-13-6-2-1-3-7-13/h1-11H,12,18H2
InChIKeyDQDSECJYWOSGGA-UHFFFAOYSA-N
XLogP4.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxynaphthalen-1-amine?
The IUPAC name of 4-phenylmethoxynaphthalen-1-amine (CID 23120763) is 4-phenylmethoxynaphthalen-1-amine.
What is the SMILES notation for 4-phenylmethoxynaphthalen-1-amine?
The canonical SMILES for 4-phenylmethoxynaphthalen-1-amine is Nc1ccc(OCc2ccccc2)c2ccccc12.
What is the InChIKey of 4-phenylmethoxynaphthalen-1-amine?
The InChIKey is DQDSECJYWOSGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c18-16-10-11-17(15-9-5-4-8-14(15)16)19-12-13-6-2-1-3-7-13/h1-11H,12,18H2.
What are the key properties of 4-phenylmethoxynaphthalen-1-amine?
4-phenylmethoxynaphthalen-1-amine has a molecular weight of 249.31 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxynaphthalen-1-amine is sourced from PubChem (CID 23120763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).