2-ethyl-N-(2-methylprop-2-enyl)aniline

C12H17N — CID 60679757

IUPAC2-ethyl-N-(2-methylprop-2-enyl)aniline
SMILESC=C(C)CNc1ccccc1CC
InChIInChI=1S/C12H17N/c1-4-11-7-5-6-8-12(11)13-9-10(2)3/h5-8,13H,2,4,9H2,1,3H3
InChIKeyDSRZTKBMPXHUQH-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.24
Rot. Bonds4

About 2-ethyl-N-(2-methylprop-2-enyl)aniline

2-ethyl-N-(2-methylprop-2-enyl)aniline (PubChem CID 60679757) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-ethyl-N-(2-methylprop-2-enyl)aniline.

Molecular Properties

Compound Name2-ethyl-N-(2-methylprop-2-enyl)aniline
PubChem CID60679757
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name2-ethyl-N-(2-methylprop-2-enyl)aniline
SMILESC=C(C)CNc1ccccc1CC
InChIInChI=1S/C12H17N/c1-4-11-7-5-6-8-12(11)13-9-10(2)3/h5-8,13H,2,4,9H2,1,3H3
InChIKeyDSRZTKBMPXHUQH-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-ethylanilino)acetate
CID 28583397
1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone
CID 108996156
N-(2-ethylphenyl)-2-methylprop-2-enamide
CID 54544779
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
2-(2-ethylanilino)-N-(2-methylpropyl)acetamide
CID 28583341
2-(2-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 9105155
N-(2-methylidenebutyl)-2-propylaniline
CID 66044507
N-[2-(2-methylprop-2-enyl)phenyl]acetamide
CID 102600118
3-(2-ethylanilino)-2,2-dimethylpropan-1-ol
CID 81414834
2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28583393
N-(2-methylprop-2-enyl)aniline;hydrochloride
CID 86147547

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methylprop-2-enyl)aniline?
The IUPAC name of 2-ethyl-N-(2-methylprop-2-enyl)aniline (CID 60679757) is 2-ethyl-N-(2-methylprop-2-enyl)aniline.
What is the SMILES notation for 2-ethyl-N-(2-methylprop-2-enyl)aniline?
The canonical SMILES for 2-ethyl-N-(2-methylprop-2-enyl)aniline is C=C(C)CNc1ccccc1CC.
What is the InChIKey of 2-ethyl-N-(2-methylprop-2-enyl)aniline?
The InChIKey is DSRZTKBMPXHUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-4-11-7-5-6-8-12(11)13-9-10(2)3/h5-8,13H,2,4,9H2,1,3H3.
What are the key properties of 2-ethyl-N-(2-methylprop-2-enyl)aniline?
2-ethyl-N-(2-methylprop-2-enyl)aniline has a molecular weight of 175.27 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methylprop-2-enyl)aniline is sourced from PubChem (CID 60679757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).