4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline

C22H23NO2 — CID 54796749

IUPAC4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
SMILESCC(C)Oc1cccc(CNc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H23NO2/c1-17(2)24-22-10-6-7-18(15-22)16-23-19-11-13-21(14-12-19)25-20-8-4-3-5-9-20/h3-15,17,23H,16H2,1-2H3
InChIKeyLUKKWASLFSFMJF-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.88
Rot. Bonds7

About 4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline

4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline (PubChem CID 54796749) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
PubChem CID54796749
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
SMILESCC(C)Oc1cccc(CNc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H23NO2/c1-17(2)24-22-10-6-7-18(15-22)16-23-19-11-13-21(14-12-19)25-20-8-4-3-5-9-20/h3-15,17,23H,16H2,1-2H3
InChIKeyLUKKWASLFSFMJF-UHFFFAOYSA-N
XLogP5.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 10925650
N-benzyl-4-propan-2-yloxyaniline
CID 28969524
4-phenoxy-N-[(3-phenylmethoxyphenyl)methyl]aniline
CID 126128104
4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54796698
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
2-[(3-propan-2-yloxyphenyl)methylamino]benzoic acid
CID 61210168
N-[(3-propan-2-yloxyphenyl)methyl]-1-benzothiophen-5-amine
CID 63433990
3-methyl-N-[(3-phenoxyphenyl)methyl]aniline
CID 86024884
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 63011929
N-[[3-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117695
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
N-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805438

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline?
The IUPAC name of 4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline (CID 54796749) is 4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline.
What is the SMILES notation for 4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline?
The canonical SMILES for 4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline is CC(C)Oc1cccc(CNc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline?
The InChIKey is LUKKWASLFSFMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-17(2)24-22-10-6-7-18(15-22)16-23-19-11-13-21(14-12-19)25-20-8-4-3-5-9-20/h3-15,17,23H,16H2,1-2H3.
What are the key properties of 4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline?
4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline has a molecular weight of 333.43 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline is sourced from PubChem (CID 54796749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).