2,4-dimethyl-5-prop-1-en-2-ylaniline;ethane

C13H21N — CID 177043564

IUPAC2,4-dimethyl-5-prop-1-en-2-ylaniline;ethane
SMILESC=C(C)c1cc(N)c(C)cc1C.CC
InChIInChI=1S/C11H15N.C2H6/c1-7(2)10-6-11(12)9(4)5-8(10)3;1-2/h5-6H,1,12H2,2-4H3;1-2H3
InChIKeyXBZYPCMCFOFAKE-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.94
Rot. Bonds1

About 2,4-dimethyl-5-prop-1-en-2-ylaniline;ethane

2,4-dimethyl-5-prop-1-en-2-ylaniline;ethane (PubChem CID 177043564) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2,4-dimethyl-5-prop-1-en-2-ylaniline;ethane.

Molecular Properties

Compound Name2,4-dimethyl-5-prop-1-en-2-ylaniline;ethane
PubChem CID177043564
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2,4-dimethyl-5-prop-1-en-2-ylaniline;ethane
SMILESC=C(C)c1cc(N)c(C)cc1C.CC
InChIInChI=1S/C11H15N.C2H6/c1-7(2)10-6-11(12)9(4)5-8(10)3;1-2/h5-6H,1,12H2,2-4H3;1-2H3
InChIKeyXBZYPCMCFOFAKE-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-5-prop-1-en-2-ylaniline;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1,2,4-trimethyl-5-prop-1-en-2-ylbenzene
CID 163218853
2,4-dimethyl-5-[(E)-pent-2-en-2-yl]aniline;2-methylprop-1-ene
CID 177043566
2,4-dimethyl-5-prop-1-en-2-ylbenzenethiol
CID 142349679
ethane;5-methyl-2-prop-1-en-2-ylaniline
CID 142496238
ethane;2-methylprop-1-ene;1,2,4,5-tetramethylbenzene
CID 166473604
1,5-dimethyl-2-[(E)-prop-1-enyl]-4-prop-1-en-2-ylbenzene
CID 169185434
2,4-dimethyl-6-prop-1-en-2-ylaniline
CID 144506945
1-(2,4,5-trimethylphenyl)ethenamine
CID 134277556
tert-butyl 5-amino-2,4-dimethylbenzoate
CID 102706046
2-methoxyethyl 5-amino-2,4-dimethylbenzoate
CID 104538496
1-(2-amino-3,5-dimethylphenyl)ethanone;2,4-dimethyl-6-prop-1-en-2-ylaniline;ethane
CID 144506946
(5-amino-2,4-dimethylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 102707053

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-prop-1-en-2-ylaniline;ethane?
The IUPAC name of 2,4-dimethyl-5-prop-1-en-2-ylaniline;ethane (CID 177043564) is 2,4-dimethyl-5-prop-1-en-2-ylaniline;ethane.
What is the SMILES notation for 2,4-dimethyl-5-prop-1-en-2-ylaniline;ethane?
The canonical SMILES for 2,4-dimethyl-5-prop-1-en-2-ylaniline;ethane is C=C(C)c1cc(N)c(C)cc1C.CC.
What is the InChIKey of 2,4-dimethyl-5-prop-1-en-2-ylaniline;ethane?
The InChIKey is XBZYPCMCFOFAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-7(2)10-6-11(12)9(4)5-8(10)3;1-2/h5-6H,1,12H2,2-4H3;1-2H3.
What are the key properties of 2,4-dimethyl-5-prop-1-en-2-ylaniline;ethane?
2,4-dimethyl-5-prop-1-en-2-ylaniline;ethane has a molecular weight of 191.32 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-prop-1-en-2-ylaniline;ethane is sourced from PubChem (CID 177043564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).