4-(naphthalen-1-ylmethoxy)-N-phenylaniline

C23H19NO — CID 145256438

IUPAC4-(naphthalen-1-ylmethoxy)-N-phenylaniline
SMILESc1ccc(Nc2ccc(OCc3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C23H19NO/c1-2-10-20(11-3-1)24-21-13-15-22(16-14-21)25-17-19-9-6-8-18-7-4-5-12-23(18)19/h1-16,24H,17H2
InChIKeyPNPVKASDKQIMSQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP6.16
Rot. Bonds5

About 4-(naphthalen-1-ylmethoxy)-N-phenylaniline

4-(naphthalen-1-ylmethoxy)-N-phenylaniline (PubChem CID 145256438) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(naphthalen-1-ylmethoxy)-N-phenylaniline.

Molecular Properties

Compound Name4-(naphthalen-1-ylmethoxy)-N-phenylaniline
PubChem CID145256438
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name4-(naphthalen-1-ylmethoxy)-N-phenylaniline
SMILESc1ccc(Nc2ccc(OCc3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C23H19NO/c1-2-10-20(11-3-1)24-21-13-15-22(16-14-21)25-17-19-9-6-8-18-7-4-5-12-23(18)19/h1-16,24H,17H2
InChIKeyPNPVKASDKQIMSQ-UHFFFAOYSA-N
XLogP6.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-ylmethoxy)-N-phenylaniline?
The IUPAC name of 4-(naphthalen-1-ylmethoxy)-N-phenylaniline (CID 145256438) is 4-(naphthalen-1-ylmethoxy)-N-phenylaniline.
What is the SMILES notation for 4-(naphthalen-1-ylmethoxy)-N-phenylaniline?
The canonical SMILES for 4-(naphthalen-1-ylmethoxy)-N-phenylaniline is c1ccc(Nc2ccc(OCc3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 4-(naphthalen-1-ylmethoxy)-N-phenylaniline?
The InChIKey is PNPVKASDKQIMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO/c1-2-10-20(11-3-1)24-21-13-15-22(16-14-21)25-17-19-9-6-8-18-7-4-5-12-23(18)19/h1-16,24H,17H2.
What are the key properties of 4-(naphthalen-1-ylmethoxy)-N-phenylaniline?
4-(naphthalen-1-ylmethoxy)-N-phenylaniline has a molecular weight of 325.41 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-ylmethoxy)-N-phenylaniline is sourced from PubChem (CID 145256438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).