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

C19H30N2O — CID 84749223

IUPAC2-ethoxy-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1ccc(CNCC(C)C)cc1OCC
InChIInChI=1S/C19H30N2O/c1-6-11-21(12-7-2)18-10-9-17(13-19(18)22-8-3)15-20-14-16(4)5/h6-7,9-10,13,16,20H,1-2,8,11-12,14-15H2,3-5H3
InChIKeyAZHQXTWCOIHDTM-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.01
Rot. Bonds11

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

2-ethoxy-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)aniline (PubChem CID 84749223) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-ethoxy-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)aniline.

Molecular Properties

Compound Name2-ethoxy-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)aniline
PubChem CID84749223
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name2-ethoxy-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1ccc(CNCC(C)C)cc1OCC
InChIInChI=1S/C19H30N2O/c1-6-11-21(12-7-2)18-10-9-17(13-19(18)22-8-3)15-20-14-16(4)5/h6-7,9-10,13,16,20H,1-2,8,11-12,14-15H2,3-5H3
InChIKeyAZHQXTWCOIHDTM-UHFFFAOYSA-N
XLogP4.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.01
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N,N-bis(prop-2-enyl)-4-[(prop-2-enylamino)methyl]aniline
CID 84749230
2-methoxy-4-[(3-methylbutylamino)methyl]-N,N-bis(prop-2-enyl)aniline
CID 84754425
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
4-(methylaminomethyl)-2-propan-2-yloxy-N,N-bis(prop-2-enyl)aniline
CID 84750377
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 29227521
(2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol
CID 7991496
N-[[3-ethoxy-4-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63056898
N-[[4-(2,2-difluoroethoxy)-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63058247
N-[[4-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63057064
2-methoxy-N,N-dimethyl-4-[(2-methylpropylamino)methyl]aniline
CID 84754564
N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine
CID 103340117
N-[[4-[(E)-3-chloro-2-methylprop-2-enoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
CID 106436947

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)aniline?
The IUPAC name of 2-ethoxy-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)aniline (CID 84749223) is 2-ethoxy-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)aniline.
What is the SMILES notation for 2-ethoxy-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)aniline?
The canonical SMILES for 2-ethoxy-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)aniline is C=CCN(CC=C)c1ccc(CNCC(C)C)cc1OCC.
What is the InChIKey of 2-ethoxy-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)aniline?
The InChIKey is AZHQXTWCOIHDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-6-11-21(12-7-2)18-10-9-17(13-19(18)22-8-3)15-20-14-16(4)5/h6-7,9-10,13,16,20H,1-2,8,11-12,14-15H2,3-5H3.
What are the key properties of 2-ethoxy-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)aniline?
2-ethoxy-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)aniline has a molecular weight of 302.46 g/mol, XLogP of 4.01, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(2-methylpropylamino)methyl]-N,N-bis(prop-2-enyl)aniline is sourced from PubChem (CID 84749223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).