N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenoxyaniline

C30H24FNO2 — CID 126119075

IUPACN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenoxyaniline
SMILESFc1ccc(COc2ccc3ccccc3c2CNc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C30H24FNO2/c31-24-13-10-22(11-14-24)21-33-30-19-12-23-6-4-5-9-28(23)29(30)20-32-25-15-17-27(18-16-25)34-26-7-2-1-3-8-26/h1-19,32H,20-21H2
InChIKeyCSDGIKMRPVICSQ-UHFFFAOYSA-N
MW449.53 g/mol
LogP7.96
Rot. Bonds8

About N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenoxyaniline

N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenoxyaniline (PubChem CID 126119075) has the molecular formula C30H24FNO2 and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenoxyaniline.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenoxyaniline
PubChem CID126119075
Molecular FormulaC30H24FNO2
Molecular Weight449.53 g/mol
Exact Mass449.18
IUPAC NameN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenoxyaniline
SMILESFc1ccc(COc2ccc3ccccc3c2CNc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C30H24FNO2/c31-24-13-10-22(11-14-24)21-33-30-19-12-23-6-4-5-9-28(23)29(30)20-32-25-15-17-27(18-16-25)34-26-7-2-1-3-8-26/h1-19,32H,20-21H2
InChIKeyCSDGIKMRPVICSQ-UHFFFAOYSA-N
XLogP7.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.53
LogP ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxynaphthalen-1-yl)methyl]-4-phenoxyaniline
CID 126118729
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2H-tetrazol-5-amine
CID 834197
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2-phenylethanamine
CID 4715865
[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methanol
CID 964391
4-ethoxy-N-[(2-ethoxynaphthalen-1-yl)methyl]aniline
CID 126115732
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-3-methylbutan-1-amine
CID 17210543
N-[(2-ethoxynaphthalen-1-yl)methyl]-4-ethylaniline
CID 126125026
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156022
1-(3-bromopropyl)-2-[(4-fluorophenyl)methoxy]naphthalene
CID 171486262
[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl carbamate
CID 175568006
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
2-chloro-5-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]benzoic acid
CID 17058514

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenoxyaniline?
The IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenoxyaniline (CID 126119075) is N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenoxyaniline.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenoxyaniline?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenoxyaniline is Fc1ccc(COc2ccc3ccccc3c2CNc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenoxyaniline?
The InChIKey is CSDGIKMRPVICSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FNO2/c31-24-13-10-22(11-14-24)21-33-30-19-12-23-6-4-5-9-28(23)29(30)20-32-25-15-17-27(18-16-25)34-26-7-2-1-3-8-26/h1-19,32H,20-21H2.
What are the key properties of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenoxyaniline?
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenoxyaniline has a molecular weight of 449.53 g/mol, XLogP of 7.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-4-phenoxyaniline is sourced from PubChem (CID 126119075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).