3-(methoxymethyl)-N-[1-(2-methoxyphenyl)propyl]aniline

C18H23NO2 — CID 43778830

IUPAC3-(methoxymethyl)-N-[1-(2-methoxyphenyl)propyl]aniline
SMILESCCC(Nc1cccc(COC)c1)c1ccccc1OC
InChIInChI=1S/C18H23NO2/c1-4-17(16-10-5-6-11-18(16)21-3)19-15-9-7-8-14(12-15)13-20-2/h5-12,17,19H,4,13H2,1-3H3
InChIKeySNFOOKBRXSBUHM-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.40
Rot. Bonds7

About 3-(methoxymethyl)-N-[1-(2-methoxyphenyl)propyl]aniline

3-(methoxymethyl)-N-[1-(2-methoxyphenyl)propyl]aniline (PubChem CID 43778830) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[1-(2-methoxyphenyl)propyl]aniline.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[1-(2-methoxyphenyl)propyl]aniline
PubChem CID43778830
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-(methoxymethyl)-N-[1-(2-methoxyphenyl)propyl]aniline
SMILESCCC(Nc1cccc(COC)c1)c1ccccc1OC
InChIInChI=1S/C18H23NO2/c1-4-17(16-10-5-6-11-18(16)21-3)19-15-9-7-8-14(12-15)13-20-2/h5-12,17,19H,4,13H2,1-3H3
InChIKeySNFOOKBRXSBUHM-UHFFFAOYSA-N
XLogP4.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methoxymethyl)-N-(1-phenylpropyl)aniline
CID 43672251
N-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)aniline
CID 43672253
4-[1-[3-(methoxymethyl)anilino]propyl]phenol
CID 43672141
3-(methoxymethyl)-N-[1-(4-methylphenyl)propyl]aniline
CID 43672248
2-[3-(methoxymethyl)anilino]butanoic acid
CID 64668978
4-chloro-3-fluoro-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43786118
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
2-[1-(3,4-dimethoxyanilino)propyl]phenol
CID 43192747
3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline
CID 62534298
N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-hexan-2-yl-3-(methoxymethyl)aniline
CID 43778851

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[1-(2-methoxyphenyl)propyl]aniline?
The IUPAC name of 3-(methoxymethyl)-N-[1-(2-methoxyphenyl)propyl]aniline (CID 43778830) is 3-(methoxymethyl)-N-[1-(2-methoxyphenyl)propyl]aniline.
What is the SMILES notation for 3-(methoxymethyl)-N-[1-(2-methoxyphenyl)propyl]aniline?
The canonical SMILES for 3-(methoxymethyl)-N-[1-(2-methoxyphenyl)propyl]aniline is CCC(Nc1cccc(COC)c1)c1ccccc1OC.
What is the InChIKey of 3-(methoxymethyl)-N-[1-(2-methoxyphenyl)propyl]aniline?
The InChIKey is SNFOOKBRXSBUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-17(16-10-5-6-11-18(16)21-3)19-15-9-7-8-14(12-15)13-20-2/h5-12,17,19H,4,13H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-N-[1-(2-methoxyphenyl)propyl]aniline?
3-(methoxymethyl)-N-[1-(2-methoxyphenyl)propyl]aniline has a molecular weight of 285.39 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[1-(2-methoxyphenyl)propyl]aniline is sourced from PubChem (CID 43778830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).