3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine

C14H21NO — CID 79341319

IUPAC3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESCCNCC(C)=Cc1cccc(OCC)c1
InChIInChI=1S/C14H21NO/c1-4-15-11-12(3)9-13-7-6-8-14(10-13)16-5-2/h6-10,15H,4-5,11H2,1-3H3
InChIKeyYXTZXFHYPZBISM-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.10
Rot. Bonds6

About 3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine

3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 79341319) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
PubChem CID79341319
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
SMILESCCNCC(C)=Cc1cccc(OCC)c1
InChIInChI=1S/C14H21NO/c1-4-15-11-12(3)9-13-7-6-8-14(10-13)16-5-2/h6-10,15H,4-5,11H2,1-3H3
InChIKeyYXTZXFHYPZBISM-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79340193
N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine
CID 79340694
1-ethoxy-3-(2-methylprop-1-enyl)benzene
CID 139695062
2-methyl-N-propan-2-yl-3-(3-propoxyphenyl)prop-2-en-1-amine
CID 79340094
N-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine
CID 79339427
ethyl (E)-3-(3-ethoxyphenyl)-2-methylprop-2-enoate
CID 104503552
(E)-3-(3-ethoxyphenyl)prop-2-en-1-ol
CID 11073969
N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79339792
1-ethenyl-3-ethoxybenzene
CID 11672687
N-[3-(3-ethoxyphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
CID 170807890
1-ethoxy-3-(2-nitroethenyl)benzene
CID 76912992
(E)-N,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 107105350

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine?
The IUPAC name of 3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine (CID 79341319) is 3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine is CCNCC(C)=Cc1cccc(OCC)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine?
The InChIKey is YXTZXFHYPZBISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-15-11-12(3)9-13-7-6-8-14(10-13)16-5-2/h6-10,15H,4-5,11H2,1-3H3.
What are the key properties of 3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine?
3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79341319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).