1-(2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine

C13H19NO — CID 115533805

IUPAC1-(2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1ccccc1OCC
InChIInChI=1S/C13H19NO/c1-5-15-12-9-7-6-8-11(12)13(14-4)10(2)3/h6-9,13-14H,2,5H2,1,3-4H3
InChIKeyZYBKFFKTOHCJNM-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.92
Rot. Bonds5

About 1-(2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine

1-(2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 115533805) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
PubChem CID115533805
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1ccccc1OCC
InChIInChI=1S/C13H19NO/c1-5-15-12-9-7-6-8-11(12)13(14-4)10(2)3/h6-9,13-14H,2,5H2,1,3-4H3
InChIKeyZYBKFFKTOHCJNM-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
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

1-(2-ethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115533471
N,2-dimethyl-1-(3,4,5-triethoxyphenyl)prop-2-en-1-amine
CID 105005592
1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine
CID 63717044
N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 60883030
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 115853624
2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol
CID 23460388
2-(2-ethoxyphenyl)-2-(methylamino)acetonitrile
CID 43114978
1-cyclopentyl-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 62801897
1-(2-ethoxyphenyl)-4-(methylamino)butane-1,2-diol
CID 171890149
1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol
CID 103457274
1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005147

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 1-(2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine (CID 115533805) is 1-(2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine is C=C(C)C(NC)c1ccccc1OCC.
What is the InChIKey of 1-(2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is ZYBKFFKTOHCJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-15-12-9-7-6-8-11(12)13(14-4)10(2)3/h6-9,13-14H,2,5H2,1,3-4H3.
What are the key properties of 1-(2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine?
1-(2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 115533805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).