4-(2-ethoxyphenyl)but-3-en-1-amine

C12H17NO — CID 76997332

IUPAC4-(2-ethoxyphenyl)but-3-en-1-amine
SMILESCCOc1ccccc1C=CCCN
InChIInChI=1S/C12H17NO/c1-2-14-12-9-4-3-7-11(12)8-5-6-10-13/h3-5,7-9H,2,6,10,13H2,1H3
InChIKeyUMCMJMUAHVIIDP-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.45
Rot. Bonds5

About 4-(2-ethoxyphenyl)but-3-en-1-amine

4-(2-ethoxyphenyl)but-3-en-1-amine (PubChem CID 76997332) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)but-3-en-1-amine
PubChem CID76997332
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(2-ethoxyphenyl)but-3-en-1-amine
SMILESCCOc1ccccc1C=CCCN
InChIInChI=1S/C12H17NO/c1-2-14-12-9-4-3-7-11(12)8-5-6-10-13/h3-5,7-9H,2,6,10,13H2,1H3
InChIKeyUMCMJMUAHVIIDP-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorobut-1-enyl)-2-ethoxybenzene
CID 79602930
4-(2-ethoxyphenyl)-N-ethylbut-3-en-1-amine
CID 79590816
4-(2-ethoxyphenyl)but-3-enenitrile
CID 170799590
4-[2-(dimethoxymethyl)phenyl]but-3-en-1-amine
CID 170487444
(E)-3-[2-(2-aminoethoxy)phenyl]-N-methylprop-2-en-1-amine
CID 58788114
[(E)-2-(2-ethoxyphenyl)ethenyl]boronic acid
CID 81222532
N-[3-(2-ethoxyphenyl)prop-2-enyl]acetamide
CID 169465357
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
1-[(E)-but-1-enyl]-2-propoxybenzene;methane
CID 159219180
4-(2-methylsulfanylphenyl)but-3-en-1-amine
CID 170486510
4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine
CID 76996860
1-[(E)-4-bromobut-1-enyl]-2-(2-methoxyethoxy)benzene
CID 104663298

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)but-3-en-1-amine?
The IUPAC name of 4-(2-ethoxyphenyl)but-3-en-1-amine (CID 76997332) is 4-(2-ethoxyphenyl)but-3-en-1-amine.
What is the SMILES notation for 4-(2-ethoxyphenyl)but-3-en-1-amine?
The canonical SMILES for 4-(2-ethoxyphenyl)but-3-en-1-amine is CCOc1ccccc1C=CCCN.
What is the InChIKey of 4-(2-ethoxyphenyl)but-3-en-1-amine?
The InChIKey is UMCMJMUAHVIIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-14-12-9-4-3-7-11(12)8-5-6-10-13/h3-5,7-9H,2,6,10,13H2,1H3.
What are the key properties of 4-(2-ethoxyphenyl)but-3-en-1-amine?
4-(2-ethoxyphenyl)but-3-en-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)but-3-en-1-amine is sourced from PubChem (CID 76997332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).