3-(methoxymethyl)-N-(1-phenylpropyl)aniline

C17H21NO — CID 43672251

IUPAC3-(methoxymethyl)-N-(1-phenylpropyl)aniline
SMILESCCC(Nc1cccc(COC)c1)c1ccccc1
InChIInChI=1S/C17H21NO/c1-3-17(15-9-5-4-6-10-15)18-16-11-7-8-14(12-16)13-19-2/h4-12,17-18H,3,13H2,1-2H3
InChIKeyWEIKTRQTQCJOPU-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.40
Rot. Bonds6

About 3-(methoxymethyl)-N-(1-phenylpropyl)aniline

3-(methoxymethyl)-N-(1-phenylpropyl)aniline (PubChem CID 43672251) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-(1-phenylpropyl)aniline.

Molecular Properties

Compound Name3-(methoxymethyl)-N-(1-phenylpropyl)aniline
PubChem CID43672251
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-(methoxymethyl)-N-(1-phenylpropyl)aniline
SMILESCCC(Nc1cccc(COC)c1)c1ccccc1
InChIInChI=1S/C17H21NO/c1-3-17(15-9-5-4-6-10-15)18-16-11-7-8-14(12-16)13-19-2/h4-12,17-18H,3,13H2,1-2H3
InChIKeyWEIKTRQTQCJOPU-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.40
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-(4-methylphenyl)propyl]aniline
CID 43672248
N-[1-(4-fluorophenyl)propyl]-3-(methoxymethyl)aniline
CID 43672253
3-(methoxymethyl)-N-[1-(2-methoxyphenyl)propyl]aniline
CID 43778830
2-[3-(methoxymethyl)anilino]butanoic acid
CID 64668978
3-N-(1-phenylpropyl)benzene-1,3-diamine
CID 55058097
N-(1-phenylpropyl)-3-propoxyaniline
CID 43693763
3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline
CID 62534298
3-ethyl-N-(3-methyl-1-phenylbutyl)aniline
CID 43102819
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
N-hexan-2-yl-3-(methoxymethyl)aniline
CID 43778851
[3-[1-(4-methylphenyl)propylamino]phenyl]methanol
CID 43715171

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-(1-phenylpropyl)aniline?
The IUPAC name of 3-(methoxymethyl)-N-(1-phenylpropyl)aniline (CID 43672251) is 3-(methoxymethyl)-N-(1-phenylpropyl)aniline.
What is the SMILES notation for 3-(methoxymethyl)-N-(1-phenylpropyl)aniline?
The canonical SMILES for 3-(methoxymethyl)-N-(1-phenylpropyl)aniline is CCC(Nc1cccc(COC)c1)c1ccccc1.
What is the InChIKey of 3-(methoxymethyl)-N-(1-phenylpropyl)aniline?
The InChIKey is WEIKTRQTQCJOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-17(15-9-5-4-6-10-15)18-16-11-7-8-14(12-16)13-19-2/h4-12,17-18H,3,13H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-N-(1-phenylpropyl)aniline?
3-(methoxymethyl)-N-(1-phenylpropyl)aniline has a molecular weight of 255.36 g/mol, XLogP of 4.40, 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-phenylpropyl)aniline is sourced from PubChem (CID 43672251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).