3-[2-(methoxymethyl)phenyl]-N,2-dimethylprop-2-en-1-amine

C13H19NO — CID 79341607

IUPAC3-[2-(methoxymethyl)phenyl]-N,2-dimethylprop-2-en-1-amine
SMILESCNCC(C)=Cc1ccccc1COC
InChIInChI=1S/C13H19NO/c1-11(9-14-2)8-12-6-4-5-7-13(12)10-15-3/h4-8,14H,9-10H2,1-3H3
InChIKeyOPQFWFQAGUXIHM-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.46
Rot. Bonds5

About 3-[2-(methoxymethyl)phenyl]-N,2-dimethylprop-2-en-1-amine

3-[2-(methoxymethyl)phenyl]-N,2-dimethylprop-2-en-1-amine (PubChem CID 79341607) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)phenyl]-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name3-[2-(methoxymethyl)phenyl]-N,2-dimethylprop-2-en-1-amine
PubChem CID79341607
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-[2-(methoxymethyl)phenyl]-N,2-dimethylprop-2-en-1-amine
SMILESCNCC(C)=Cc1ccccc1COC
InChIInChI=1S/C13H19NO/c1-11(9-14-2)8-12-6-4-5-7-13(12)10-15-3/h4-8,14H,9-10H2,1-3H3
InChIKeyOPQFWFQAGUXIHM-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-[2-(methoxymethyl)phenyl]-2-methylprop-2-en-1-amine
CID 79340745
3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid
CID 79725443
2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79338998
2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine
CID 79329088
(E)-3-(3-chloro-2-fluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 114489363
N-[(E)-3-chloro-2-methylprop-2-enyl]-2-(methoxymethyl)aniline
CID 106437606
1-[3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine
CID 154742529
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79338510
1-[2-(methoxymethyl)phenyl]propan-2-one
CID 83874886
N,2-dimethyl-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-amine
CID 79340779
2-(methoxymethyl)-N-methylbenzamide
CID 60753373
N-[3-[2-(methoxymethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine
CID 79347420

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)phenyl]-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 3-[2-(methoxymethyl)phenyl]-N,2-dimethylprop-2-en-1-amine (CID 79341607) is 3-[2-(methoxymethyl)phenyl]-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 3-[2-(methoxymethyl)phenyl]-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 3-[2-(methoxymethyl)phenyl]-N,2-dimethylprop-2-en-1-amine is CNCC(C)=Cc1ccccc1COC.
What is the InChIKey of 3-[2-(methoxymethyl)phenyl]-N,2-dimethylprop-2-en-1-amine?
The InChIKey is OPQFWFQAGUXIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(9-14-2)8-12-6-4-5-7-13(12)10-15-3/h4-8,14H,9-10H2,1-3H3.
What are the key properties of 3-[2-(methoxymethyl)phenyl]-N,2-dimethylprop-2-en-1-amine?
3-[2-(methoxymethyl)phenyl]-N,2-dimethylprop-2-en-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethyl)phenyl]-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 79341607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).