2-ethoxy-N,N-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]aniline

C18H26N2O — CID 84749230

IUPAC2-ethoxy-N,N-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]aniline
SMILESC=CCNCc1ccc(N(CC=C)CC=C)c(OCC)c1
InChIInChI=1S/C18H26N2O/c1-5-11-19-15-16-9-10-17(18(14-16)21-8-4)20(12-6-2)13-7-3/h5-7,9-10,14,19H,1-3,8,11-13,15H2,4H3
InChIKeyOLSDEJQLSAVYMT-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.54
Rot. Bonds11

About 2-ethoxy-N,N-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]aniline

2-ethoxy-N,N-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]aniline (PubChem CID 84749230) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-ethoxy-N,N-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]aniline.

Molecular Properties

Compound Name2-ethoxy-N,N-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]aniline
PubChem CID84749230
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-ethoxy-N,N-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]aniline
SMILESC=CCNCc1ccc(N(CC=C)CC=C)c(OCC)c1
InChIInChI=1S/C18H26N2O/c1-5-11-19-15-16-9-10-17(18(14-16)21-8-4)20(12-6-2)13-7-3/h5-7,9-10,14,19H,1-3,8,11-13,15H2,4H3
InChIKeyOLSDEJQLSAVYMT-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)aniline
CID 84749223
2-fluoro-N,N-bis(prop-2-enyl)-5-[(prop-2-enylamino)methyl]aniline
CID 84753592
N-[(3-chloro-4-ethoxyphenyl)methyl]prop-2-en-1-amine
CID 17157875
2-methoxy-4-[(3-methylbutylamino)methyl]-N,N-bis(prop-2-enyl)aniline
CID 84754425
4-(methylaminomethyl)-2-propan-2-yloxy-N,N-bis(prop-2-enyl)aniline
CID 84750377
N-[[4-(dimethylamino)-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 84749573
3-[2-ethoxy-4-(ethylaminomethyl)-N-propylanilino]propanoic acid
CID 84749909
N-butyl-2-ethoxy-N-ethyl-4-(methylaminomethyl)aniline
CID 84754802
2-[[4-[butyl(ethyl)amino]-3-ethoxyphenyl]methylamino]acetic acid
CID 84748733
N-[2-[[4-(diethylamino)-3-ethoxyphenyl]methylamino]ethyl]acetamide
CID 84749361
N-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline
CID 84749591
3-[N-methyl-2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]anilino]propanoic acid
CID 84750659

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,N-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]aniline?
The IUPAC name of 2-ethoxy-N,N-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]aniline (CID 84749230) is 2-ethoxy-N,N-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]aniline.
What is the SMILES notation for 2-ethoxy-N,N-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]aniline?
The canonical SMILES for 2-ethoxy-N,N-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]aniline is C=CCNCc1ccc(N(CC=C)CC=C)c(OCC)c1.
What is the InChIKey of 2-ethoxy-N,N-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]aniline?
The InChIKey is OLSDEJQLSAVYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-11-19-15-16-9-10-17(18(14-16)21-8-4)20(12-6-2)13-7-3/h5-7,9-10,14,19H,1-3,8,11-13,15H2,4H3.
What are the key properties of 2-ethoxy-N,N-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]aniline?
2-ethoxy-N,N-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]aniline has a molecular weight of 286.42 g/mol, XLogP of 3.54, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,N-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]aniline is sourced from PubChem (CID 84749230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).