N-[1-(4-ethoxyphenyl)-2-methoxyethyl]prop-2-yn-1-amine

C14H19NO2 — CID 122134000

IUPACN-[1-(4-ethoxyphenyl)-2-methoxyethyl]prop-2-yn-1-amine
SMILESC#CCNC(COC)c1ccc(OCC)cc1
InChIInChI=1S/C14H19NO2/c1-4-10-15-14(11-16-3)12-6-8-13(9-7-12)17-5-2/h1,6-9,14-15H,5,10-11H2,2-3H3
InChIKeyWYUUPPMAJJTJRI-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.00
Rot. Bonds7

About N-[1-(4-ethoxyphenyl)-2-methoxyethyl]prop-2-yn-1-amine

N-[1-(4-ethoxyphenyl)-2-methoxyethyl]prop-2-yn-1-amine (PubChem CID 122134000) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)-2-methoxyethyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)-2-methoxyethyl]prop-2-yn-1-amine
PubChem CID122134000
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[1-(4-ethoxyphenyl)-2-methoxyethyl]prop-2-yn-1-amine
SMILESC#CCNC(COC)c1ccc(OCC)cc1
InChIInChI=1S/C14H19NO2/c1-4-10-15-14(11-16-3)12-6-8-13(9-7-12)17-5-2/h1,6-9,14-15H,5,10-11H2,2-3H3
InChIKeyWYUUPPMAJJTJRI-UHFFFAOYSA-N
XLogP2.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65380164
1-(4-ethoxyphenyl)but-3-ynylhydrazine
CID 105281456
4-[[[1-(4-ethoxyphenyl)-2-methoxyethyl]amino]methyl]benzoic acid
CID 122034082
1-ethoxy-4-[1-(4-ethoxyphenyl)prop-2-ynyl]benzene
CID 130239212
N-[1-(4-ethoxyphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine
CID 64613678
1-(4-ethoxyphenyl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 102928029
1-ethoxy-4-prop-2-ynoxybenzene
CID 20701293
N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide
CID 124847644
N-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine
CID 102981170
1-(4-ethoxyphenyl)-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447281
1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43489419
N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]pyrazine-2-carboxamide
CID 124854277

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)-2-methoxyethyl]prop-2-yn-1-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)-2-methoxyethyl]prop-2-yn-1-amine (CID 122134000) is N-[1-(4-ethoxyphenyl)-2-methoxyethyl]prop-2-yn-1-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)-2-methoxyethyl]prop-2-yn-1-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)-2-methoxyethyl]prop-2-yn-1-amine is C#CCNC(COC)c1ccc(OCC)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)-2-methoxyethyl]prop-2-yn-1-amine?
The InChIKey is WYUUPPMAJJTJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-10-15-14(11-16-3)12-6-8-13(9-7-12)17-5-2/h1,6-9,14-15H,5,10-11H2,2-3H3.
What are the key properties of N-[1-(4-ethoxyphenyl)-2-methoxyethyl]prop-2-yn-1-amine?
N-[1-(4-ethoxyphenyl)-2-methoxyethyl]prop-2-yn-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)-2-methoxyethyl]prop-2-yn-1-amine is sourced from PubChem (CID 122134000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).