4-(oxan-4-yloxy)-3-phenylmethoxyaniline

C18H21NO3 — CID 146026850

IUPAC4-(oxan-4-yloxy)-3-phenylmethoxyaniline
SMILESNc1ccc(OC2CCOCC2)c(OCc2ccccc2)c1
InChIInChI=1S/C18H21NO3/c19-15-6-7-17(22-16-8-10-20-11-9-16)18(12-15)21-13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13,19H2
InChIKeyPHSDPJYRPGQKPX-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.41
Rot. Bonds5

About 4-(oxan-4-yloxy)-3-phenylmethoxyaniline

4-(oxan-4-yloxy)-3-phenylmethoxyaniline (PubChem CID 146026850) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-(oxan-4-yloxy)-3-phenylmethoxyaniline.

Molecular Properties

Compound Name4-(oxan-4-yloxy)-3-phenylmethoxyaniline
PubChem CID146026850
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name4-(oxan-4-yloxy)-3-phenylmethoxyaniline
SMILESNc1ccc(OC2CCOCC2)c(OCc2ccccc2)c1
InChIInChI=1S/C18H21NO3/c19-15-6-7-17(22-16-8-10-20-11-9-16)18(12-15)21-13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13,19H2
InChIKeyPHSDPJYRPGQKPX-UHFFFAOYSA-N
XLogP3.41
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-cyclohexyloxy-3-phenylmethoxyaniline
CID 164888754
ethyl 2-[5-amino-2-(oxan-4-yloxy)phenoxy]acetate
CID 59442324
3-methoxy-4-phenylmethoxyaniline
CID 27226
4-phenylmethoxyoxane
CID 66554133
4-(4-benzylphenoxy)oxane
CID 142700383
3-iodo-4-phenylmethoxyaniline;iron
CID 70281064
4-phenoxyoxane
CID 58483739
N'-[2-(1-chloroethenyl)-5-[(3S)-oxolan-3-yl]oxy-4-phenylmethoxyphenyl]methanimidamide
CID 118450066
4-amino-N-cyclopentyl-2-phenylmethoxybenzamide
CID 146035949
5-chloro-1-(oxan-4-yl)-4-phenylmethoxypyrazole
CID 117231838
5-methyl-2-(oxan-4-yloxy)aniline
CID 61267533
2-[2-(oxan-4-yloxy)naphthalen-1-yl]ethanamine
CID 63936894

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yloxy)-3-phenylmethoxyaniline?
The IUPAC name of 4-(oxan-4-yloxy)-3-phenylmethoxyaniline (CID 146026850) is 4-(oxan-4-yloxy)-3-phenylmethoxyaniline.
What is the SMILES notation for 4-(oxan-4-yloxy)-3-phenylmethoxyaniline?
The canonical SMILES for 4-(oxan-4-yloxy)-3-phenylmethoxyaniline is Nc1ccc(OC2CCOCC2)c(OCc2ccccc2)c1.
What is the InChIKey of 4-(oxan-4-yloxy)-3-phenylmethoxyaniline?
The InChIKey is PHSDPJYRPGQKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c19-15-6-7-17(22-16-8-10-20-11-9-16)18(12-15)21-13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13,19H2.
What are the key properties of 4-(oxan-4-yloxy)-3-phenylmethoxyaniline?
4-(oxan-4-yloxy)-3-phenylmethoxyaniline has a molecular weight of 299.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yloxy)-3-phenylmethoxyaniline is sourced from PubChem (CID 146026850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).