3-(2-ethoxyphenyl)-N-ethylprop-2-yn-1-amine

C13H17NO — CID 114497836

IUPAC3-(2-ethoxyphenyl)-N-ethylprop-2-yn-1-amine
SMILESCCNCC#Cc1ccccc1OCC
InChIInChI=1S/C13H17NO/c1-3-14-11-7-9-12-8-5-6-10-13(12)15-4-2/h5-6,8,10,14H,3-4,11H2,1-2H3
InChIKeyOFYZRSLYWSNKNP-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.05
Rot. Bonds4

About 3-(2-ethoxyphenyl)-N-ethylprop-2-yn-1-amine

3-(2-ethoxyphenyl)-N-ethylprop-2-yn-1-amine (PubChem CID 114497836) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-ethylprop-2-yn-1-amine.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-ethylprop-2-yn-1-amine
PubChem CID114497836
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3-(2-ethoxyphenyl)-N-ethylprop-2-yn-1-amine
SMILESCCNCC#Cc1ccccc1OCC
InChIInChI=1S/C13H17NO/c1-3-14-11-7-9-12-8-5-6-10-13(12)15-4-2/h5-6,8,10,14H,3-4,11H2,1-2H3
InChIKeyOFYZRSLYWSNKNP-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromobut-1-ynyl)-2-ethoxybenzene
CID 170465998
6-(2-ethoxyphenyl)hex-5-yn-1-amine
CID 106208701
2-ethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]naphthalene-1-carboxamide
CID 90549244
2-amino-3-ethoxybenzonitrile
CID 82014474
N-[[5-(2-ethoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106887098
N-[3-(2-methoxyphenyl)prop-2-ynyl]propane-1-sulfonamide
CID 90553197
2-ethoxybenzonitrile;3-oxobutanoic acid
CID 174405207
2-[2-(3-sulfanylprop-1-ynyl)phenoxy]acetic acid
CID 169487125
N-cyano-2-(2-ethoxyphenoxy)acetamide
CID 79194263
2-(2-ethoxyphenyl)-1-(ethylamino)propan-2-ol
CID 62773390
3-[2-(3-methoxypropoxy)phenyl]prop-2-yn-1-ol
CID 60925452
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-ethylprop-2-yn-1-amine?
The IUPAC name of 3-(2-ethoxyphenyl)-N-ethylprop-2-yn-1-amine (CID 114497836) is 3-(2-ethoxyphenyl)-N-ethylprop-2-yn-1-amine.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-ethylprop-2-yn-1-amine?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-ethylprop-2-yn-1-amine is CCNCC#Cc1ccccc1OCC.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-ethylprop-2-yn-1-amine?
The InChIKey is OFYZRSLYWSNKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-14-11-7-9-12-8-5-6-10-13(12)15-4-2/h5-6,8,10,14H,3-4,11H2,1-2H3.
What are the key properties of 3-(2-ethoxyphenyl)-N-ethylprop-2-yn-1-amine?
3-(2-ethoxyphenyl)-N-ethylprop-2-yn-1-amine has a molecular weight of 203.28 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-ethylprop-2-yn-1-amine is sourced from PubChem (CID 114497836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).