3-(methoxymethyl)-N-[1-(4-methylphenyl)propyl]aniline

C18H23NO — CID 43672248

IUPAC3-(methoxymethyl)-N-[1-(4-methylphenyl)propyl]aniline
SMILESCCC(Nc1cccc(COC)c1)c1ccc(C)cc1
InChIInChI=1S/C18H23NO/c1-4-18(16-10-8-14(2)9-11-16)19-17-7-5-6-15(12-17)13-20-3/h5-12,18-19H,4,13H2,1-3H3
InChIKeyIPHDWCOYYRPZFC-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.70
Rot. Bonds6

About 3-(methoxymethyl)-N-[1-(4-methylphenyl)propyl]aniline

3-(methoxymethyl)-N-[1-(4-methylphenyl)propyl]aniline (PubChem CID 43672248) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[1-(4-methylphenyl)propyl]aniline.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[1-(4-methylphenyl)propyl]aniline
PubChem CID43672248
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-(methoxymethyl)-N-[1-(4-methylphenyl)propyl]aniline
SMILESCCC(Nc1cccc(COC)c1)c1ccc(C)cc1
InChIInChI=1S/C18H23NO/c1-4-18(16-10-8-14(2)9-11-16)19-17-7-5-6-15(12-17)13-20-3/h5-12,18-19H,4,13H2,1-3H3
InChIKeyIPHDWCOYYRPZFC-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[3-(methoxymethyl)anilino]propyl]phenol
CID 43672141
3-(methoxymethyl)-N-(1-phenylpropyl)aniline
CID 43672251
N-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)aniline
CID 43672253
[3-[1-(4-methylphenyl)propylamino]phenyl]methanol
CID 43715171
3-[1-(4-methylphenyl)propylamino]phenol
CID 43207013
3-(methoxymethyl)-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43778830
3-ethynyl-N-[1-(4-methylphenyl)propyl]aniline
CID 43109716
N-[1-(2,5-dimethylphenyl)ethyl]-3-(methoxymethyl)aniline
CID 43672059
2-[3-[1-(4-methylphenyl)propylamino]phenoxy]acetonitrile
CID 43721247
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
2-[3-(methoxymethyl)anilino]butanoic acid
CID 64668978
N-hexan-2-yl-3-(methoxymethyl)aniline
CID 43778851

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[1-(4-methylphenyl)propyl]aniline?
The IUPAC name of 3-(methoxymethyl)-N-[1-(4-methylphenyl)propyl]aniline (CID 43672248) is 3-(methoxymethyl)-N-[1-(4-methylphenyl)propyl]aniline.
What is the SMILES notation for 3-(methoxymethyl)-N-[1-(4-methylphenyl)propyl]aniline?
The canonical SMILES for 3-(methoxymethyl)-N-[1-(4-methylphenyl)propyl]aniline is CCC(Nc1cccc(COC)c1)c1ccc(C)cc1.
What is the InChIKey of 3-(methoxymethyl)-N-[1-(4-methylphenyl)propyl]aniline?
The InChIKey is IPHDWCOYYRPZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-18(16-10-8-14(2)9-11-16)19-17-7-5-6-15(12-17)13-20-3/h5-12,18-19H,4,13H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-N-[1-(4-methylphenyl)propyl]aniline?
3-(methoxymethyl)-N-[1-(4-methylphenyl)propyl]aniline has a molecular weight of 269.39 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[1-(4-methylphenyl)propyl]aniline is sourced from PubChem (CID 43672248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).