4-(2-ethoxyphenyl)-N-ethylbut-3-en-1-amine

C14H21NO — CID 79590816

IUPAC4-(2-ethoxyphenyl)-N-ethylbut-3-en-1-amine
SMILESCCNCCC=Cc1ccccc1OCC
InChIInChI=1S/C14H21NO/c1-3-15-12-8-7-10-13-9-5-6-11-14(13)16-4-2/h5-7,9-11,15H,3-4,8,12H2,1-2H3
InChIKeyUDSNOSMOESRTOF-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.10
Rot. Bonds7

About 4-(2-ethoxyphenyl)-N-ethylbut-3-en-1-amine

4-(2-ethoxyphenyl)-N-ethylbut-3-en-1-amine (PubChem CID 79590816) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-N-ethylbut-3-en-1-amine.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-N-ethylbut-3-en-1-amine
PubChem CID79590816
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-(2-ethoxyphenyl)-N-ethylbut-3-en-1-amine
SMILESCCNCCC=Cc1ccccc1OCC
InChIInChI=1S/C14H21NO/c1-3-15-12-8-7-10-13-9-5-6-11-14(13)16-4-2/h5-7,9-11,15H,3-4,8,12H2,1-2H3
InChIKeyUDSNOSMOESRTOF-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-[2-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 79592283
1-(4-chlorobut-1-enyl)-2-ethoxybenzene
CID 79602930
4-(2-ethoxyphenyl)but-3-en-1-amine
CID 76997332
2-[(E)-4-(ethylamino)but-1-enyl]-N-methylaniline
CID 135213041
(E)-4-(2,6-dimethoxyphenyl)-N-ethylbut-3-en-1-amine
CID 116811330
4-(2-ethoxyphenyl)but-3-enenitrile
CID 170799590
N-[3-(2-ethoxyphenyl)prop-2-enyl]acetamide
CID 169465357
N-[(E)-4-(2-propoxyphenyl)but-3-enyl]cyclopropanamine
CID 104663313
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
(E)-N-ethyl-4-[2-[(Z)-prop-1-enyl]-3-pyridinyl]but-3-en-1-amine
CID 139569340
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
[(E)-2-(2-ethoxyphenyl)ethenyl]boronic acid
CID 81222532

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-N-ethylbut-3-en-1-amine?
The IUPAC name of 4-(2-ethoxyphenyl)-N-ethylbut-3-en-1-amine (CID 79590816) is 4-(2-ethoxyphenyl)-N-ethylbut-3-en-1-amine.
What is the SMILES notation for 4-(2-ethoxyphenyl)-N-ethylbut-3-en-1-amine?
The canonical SMILES for 4-(2-ethoxyphenyl)-N-ethylbut-3-en-1-amine is CCNCCC=Cc1ccccc1OCC.
What is the InChIKey of 4-(2-ethoxyphenyl)-N-ethylbut-3-en-1-amine?
The InChIKey is UDSNOSMOESRTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-15-12-8-7-10-13-9-5-6-11-14(13)16-4-2/h5-7,9-11,15H,3-4,8,12H2,1-2H3.
What are the key properties of 4-(2-ethoxyphenyl)-N-ethylbut-3-en-1-amine?
4-(2-ethoxyphenyl)-N-ethylbut-3-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-N-ethylbut-3-en-1-amine is sourced from PubChem (CID 79590816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).