2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine

C13H19NO — CID 103066426

IUPAC2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COc1cccc(CC)c1
InChIInChI=1S/C13H19NO/c1-4-12-6-5-7-13(8-12)15-10-11(2)9-14-3/h5-8,14H,2,4,9-10H2,1,3H3
InChIKeyXVJOCTVGUHTKPS-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.40
Rot. Bonds6

About 2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine

2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine (PubChem CID 103066426) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine
PubChem CID103066426
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COc1cccc(CC)c1
InChIInChI=1S/C13H19NO/c1-4-12-6-5-7-13(8-12)15-10-11(2)9-14-3/h5-8,14H,2,4,9-10H2,1,3H3
InChIKeyXVJOCTVGUHTKPS-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066700
3-[2-(methylaminomethyl)prop-2-enoxy]benzonitrile
CID 103066368
2-(3-ethylphenoxy)-N'-methylacetohydrazide
CID 116820670
2-[(6-bromonaphthalen-2-yl)oxymethyl]-N-methylprop-2-en-1-amine
CID 103066721
N-tert-butyl-2-[[3-(methoxymethyl)phenoxy]methyl]prop-2-en-1-amine
CID 103067274
2-[(4-methoxyphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066711
N'-acetyl-2-(3-ethylphenoxy)acetohydrazide
CID 43011736
N-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine
CID 103066550
2-[(4-chloro-3-methylphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066340
1-(2,3-dichloroprop-2-enoxy)-3-ethylbenzene
CID 79173400
N-tert-butyl-2-[(3-ethoxyphenoxy)methyl]prop-2-en-1-amine
CID 103067187
2-(3-ethylphenoxy)-N-prop-2-enylacetamide
CID 19177242

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine?
The IUPAC name of 2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine (CID 103066426) is 2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine is C=C(CNC)COc1cccc(CC)c1.
What is the InChIKey of 2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine?
The InChIKey is XVJOCTVGUHTKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-12-6-5-7-13(8-12)15-10-11(2)9-14-3/h5-8,14H,2,4,9-10H2,1,3H3.
What are the key properties of 2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine?
2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 103066426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).