2-ethoxy-5-[2-(prop-2-enylamino)propyl]aniline

C14H22N2O — CID 82257510

IUPAC2-ethoxy-5-[2-(prop-2-enylamino)propyl]aniline
SMILESC=CCNC(C)Cc1ccc(OCC)c(N)c1
InChIInChI=1S/C14H22N2O/c1-4-8-16-11(3)9-12-6-7-14(17-5-2)13(15)10-12/h4,6-7,10-11,16H,1,5,8-9,15H2,2-3H3
InChIKeyFKQYLVWNJJCEFP-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.37
Rot. Bonds7

About 2-ethoxy-5-[2-(prop-2-enylamino)propyl]aniline

2-ethoxy-5-[2-(prop-2-enylamino)propyl]aniline (PubChem CID 82257510) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-ethoxy-5-[2-(prop-2-enylamino)propyl]aniline.

Molecular Properties

Compound Name2-ethoxy-5-[2-(prop-2-enylamino)propyl]aniline
PubChem CID82257510
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-ethoxy-5-[2-(prop-2-enylamino)propyl]aniline
SMILESC=CCNC(C)Cc1ccc(OCC)c(N)c1
InChIInChI=1S/C14H22N2O/c1-4-8-16-11(3)9-12-6-7-14(17-5-2)13(15)10-12/h4,6-7,10-11,16H,1,5,8-9,15H2,2-3H3
InChIKeyFKQYLVWNJJCEFP-UHFFFAOYSA-N
XLogP2.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-[2-(prop-2-enylamino)propyl]aniline
CID 82257442
5-[2-(benzylamino)propyl]-2-ethoxyaniline
CID 82257507
5-[2-[butyl(ethyl)amino]propyl]-2-ethoxyaniline
CID 82256134
2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline
CID 82257431
5-[2-[2-(4-fluorophenyl)ethylamino]propyl]-2-propoxyaniline
CID 82257704
1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol
CID 82257433
2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline
CID 82257458
2-methoxy-5-[2-(methylamino)propyl]aniline
CID 82257468
(2S)-1-phenyl-N-prop-2-enylpropan-2-amine
CID 101179457
2-[1-(3-amino-4-ethoxyphenyl)propan-2-yl-methylamino]acetic acid
CID 82256147
2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline
CID 82257453
2-methoxy-5-[2-[(4-methoxyphenyl)methylamino]propyl]aniline
CID 82257451

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[2-(prop-2-enylamino)propyl]aniline?
The IUPAC name of 2-ethoxy-5-[2-(prop-2-enylamino)propyl]aniline (CID 82257510) is 2-ethoxy-5-[2-(prop-2-enylamino)propyl]aniline.
What is the SMILES notation for 2-ethoxy-5-[2-(prop-2-enylamino)propyl]aniline?
The canonical SMILES for 2-ethoxy-5-[2-(prop-2-enylamino)propyl]aniline is C=CCNC(C)Cc1ccc(OCC)c(N)c1.
What is the InChIKey of 2-ethoxy-5-[2-(prop-2-enylamino)propyl]aniline?
The InChIKey is FKQYLVWNJJCEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-8-16-11(3)9-12-6-7-14(17-5-2)13(15)10-12/h4,6-7,10-11,16H,1,5,8-9,15H2,2-3H3.
What are the key properties of 2-ethoxy-5-[2-(prop-2-enylamino)propyl]aniline?
2-ethoxy-5-[2-(prop-2-enylamino)propyl]aniline has a molecular weight of 234.34 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[2-(prop-2-enylamino)propyl]aniline is sourced from PubChem (CID 82257510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).