3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline

C22H23NO2 — CID 54797531

IUPAC3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
SMILESCOc1cccc(NCc2cccc(OCCc3ccccc3)c2)c1
InChIInChI=1S/C22H23NO2/c1-24-21-11-6-10-20(16-21)23-17-19-9-5-12-22(15-19)25-14-13-18-7-3-2-4-8-18/h2-12,15-16,23H,13-14,17H2,1H3
InChIKeyMNQWVKOQRSUYLB-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.93
Rot. Bonds8

About 3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline

3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline (PubChem CID 54797531) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
PubChem CID54797531
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
SMILESCOc1cccc(NCc2cccc(OCCc3ccccc3)c2)c1
InChIInChI=1S/C22H23NO2/c1-24-21-11-6-10-20(16-21)23-17-19-9-5-12-22(15-19)25-14-13-18-7-3-2-4-8-18/h2-12,15-16,23H,13-14,17H2,1H3
InChIKeyMNQWVKOQRSUYLB-UHFFFAOYSA-N
XLogP4.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-butoxyphenyl)methyl]-3-methoxyaniline
CID 39386916
3-(2-phenoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800842
N-benzyl-3-[2-(4-bromophenyl)ethoxy]aniline;hydrochloride
CID 141349974
3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39386919
N-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline
CID 54802511
4-hexoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54798860
N-[(4-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801333
N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline
CID 54801882
3-(2-ethoxyethoxy)-N-[[3-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802131
3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
4-fluoro-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54796489

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline?
The IUPAC name of 3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline (CID 54797531) is 3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline?
The canonical SMILES for 3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline is COc1cccc(NCc2cccc(OCCc3ccccc3)c2)c1.
What is the InChIKey of 3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline?
The InChIKey is MNQWVKOQRSUYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-24-21-11-6-10-20(16-21)23-17-19-9-5-12-22(15-19)25-14-13-18-7-3-2-4-8-18/h2-12,15-16,23H,13-14,17H2,1H3.
What are the key properties of 3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline?
3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline has a molecular weight of 333.43 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 54797531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).