4-tert-butyl-2-prop-2-enylaniline

C13H19N — CID 18363647

IUPAC4-tert-butyl-2-prop-2-enylaniline
SMILESC=CCc1cc(C(C)(C)C)ccc1N
InChIInChI=1S/C13H19N/c1-5-6-10-9-11(13(2,3)4)7-8-12(10)14/h5,7-9H,1,6,14H2,2-4H3
InChIKeyIRMOYKJAHAYZBU-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.29
Rot. Bonds2

About 4-tert-butyl-2-prop-2-enylaniline

4-tert-butyl-2-prop-2-enylaniline (PubChem CID 18363647) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-tert-butyl-2-prop-2-enylaniline.

Molecular Properties

Compound Name4-tert-butyl-2-prop-2-enylaniline
PubChem CID18363647
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4-tert-butyl-2-prop-2-enylaniline
SMILESC=CCc1cc(C(C)(C)C)ccc1N
InChIInChI=1S/C13H19N/c1-5-6-10-9-11(13(2,3)4)7-8-12(10)14/h5,7-9H,1,6,14H2,2-4H3
InChIKeyIRMOYKJAHAYZBU-UHFFFAOYSA-N
XLogP3.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-bis(prop-2-enyl)aniline
CID 67154427
4-tert-butyl-2-prop-2-enoxy-1-prop-2-enylbenzene
CID 145079777
1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene
CID 19042683
2-prop-2-enylaniline
CID 3036592
5-methyl-2-prop-2-enylaniline
CID 45078970
N'-[(4-amino-3-prop-2-enylphenyl)methyl]methanimidamide
CID 142112627
5-tert-butyl-2-ethenylsulfanylaniline
CID 155118550
4-[2-(4-carboxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzoic acid
CID 139984801
palladium(2+);2-prop-2-enylaniline;dichloride
CID 3036591
4,5-dimethoxy-2-prop-2-enylaniline
CID 606353
4-tert-butyl-2-fluoroaniline
CID 10464690
4-tert-butyl-2-(3-methoxy-2-methylpentyl)aniline
CID 155032048

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-prop-2-enylaniline?
The IUPAC name of 4-tert-butyl-2-prop-2-enylaniline (CID 18363647) is 4-tert-butyl-2-prop-2-enylaniline.
What is the SMILES notation for 4-tert-butyl-2-prop-2-enylaniline?
The canonical SMILES for 4-tert-butyl-2-prop-2-enylaniline is C=CCc1cc(C(C)(C)C)ccc1N.
What is the InChIKey of 4-tert-butyl-2-prop-2-enylaniline?
The InChIKey is IRMOYKJAHAYZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-5-6-10-9-11(13(2,3)4)7-8-12(10)14/h5,7-9H,1,6,14H2,2-4H3.
What are the key properties of 4-tert-butyl-2-prop-2-enylaniline?
4-tert-butyl-2-prop-2-enylaniline has a molecular weight of 189.30 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-prop-2-enylaniline is sourced from PubChem (CID 18363647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).