3-(4-butoxyphenyl)-N-ethylprop-2-en-1-amine

C15H23NO — CID 79348223

IUPAC3-(4-butoxyphenyl)-N-ethylprop-2-en-1-amine
SMILESCCCCOc1ccc(C=CCNCC)cc1
InChIInChI=1S/C15H23NO/c1-3-5-13-17-15-10-8-14(9-11-15)7-6-12-16-4-2/h6-11,16H,3-5,12-13H2,1-2H3
InChIKeyDRTRKAYRIJCURP-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.49
Rot. Bonds8

About 3-(4-butoxyphenyl)-N-ethylprop-2-en-1-amine

3-(4-butoxyphenyl)-N-ethylprop-2-en-1-amine (PubChem CID 79348223) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-(4-butoxyphenyl)-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(4-butoxyphenyl)-N-ethylprop-2-en-1-amine
PubChem CID79348223
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-(4-butoxyphenyl)-N-ethylprop-2-en-1-amine
SMILESCCCCOc1ccc(C=CCNCC)cc1
InChIInChI=1S/C15H23NO/c1-3-5-13-17-15-10-8-14(9-11-15)7-6-12-16-4-2/h6-11,16H,3-5,12-13H2,1-2H3
InChIKeyDRTRKAYRIJCURP-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.49
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

3-(4-hexoxyphenyl)-N-methylprop-2-en-1-amine
CID 169474720
N-[3-(4-octoxyphenyl)prop-2-enyl]acetamide
CID 169466608
1-hexoxy-4-[(E)-pent-1-enyl]benzene
CID 173201966
3-butoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine;hydrochloride
CID 17206554
(E)-N-ethyl-4-(4-pentoxyphenyl)but-3-en-2-amine
CID 103092555
N-[3-(4-fluorophenyl)prop-2-enyl]butan-1-amine
CID 171148379
4-(4-propoxyphenyl)-N-propylbut-3-en-1-amine
CID 79590058
1-butoxy-4-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 167030876
1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101334756
(E)-3-(4-nonoxyphenyl)prop-2-enal
CID 87527028
1-hexoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 163706306
4-[(1E,3E)-4-(4-butoxyphenyl)buta-1,3-dienyl]-N,N-diethylaniline
CID 59296825

Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxyphenyl)-N-ethylprop-2-en-1-amine?
The IUPAC name of 3-(4-butoxyphenyl)-N-ethylprop-2-en-1-amine (CID 79348223) is 3-(4-butoxyphenyl)-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 3-(4-butoxyphenyl)-N-ethylprop-2-en-1-amine?
The canonical SMILES for 3-(4-butoxyphenyl)-N-ethylprop-2-en-1-amine is CCCCOc1ccc(C=CCNCC)cc1.
What is the InChIKey of 3-(4-butoxyphenyl)-N-ethylprop-2-en-1-amine?
The InChIKey is DRTRKAYRIJCURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-5-13-17-15-10-8-14(9-11-15)7-6-12-16-4-2/h6-11,16H,3-5,12-13H2,1-2H3.
What are the key properties of 3-(4-butoxyphenyl)-N-ethylprop-2-en-1-amine?
3-(4-butoxyphenyl)-N-ethylprop-2-en-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxyphenyl)-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 79348223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).