5-methyl-2-prop-2-enylaniline

C10H13N — CID 45078970

IUPAC5-methyl-2-prop-2-enylaniline
SMILESC=CCc1ccc(C)cc1N
InChIInChI=1S/C10H13N/c1-3-4-9-6-5-8(2)7-10(9)11/h3,5-7H,1,4,11H2,2H3
InChIKeyOSTCNIIZUAUWFZ-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.31
Rot. Bonds2

About 5-methyl-2-prop-2-enylaniline

5-methyl-2-prop-2-enylaniline (PubChem CID 45078970) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 5-methyl-2-prop-2-enylaniline.

Molecular Properties

Compound Name5-methyl-2-prop-2-enylaniline
PubChem CID45078970
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name5-methyl-2-prop-2-enylaniline
SMILESC=CCc1ccc(C)cc1N
InChIInChI=1S/C10H13N/c1-3-4-9-6-5-8(2)7-10(9)11/h3,5-7H,1,4,11H2,2H3
InChIKeyOSTCNIIZUAUWFZ-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.31
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-(chloromethyl)-5-methylaniline
CID 91883475
2-[(2-amino-4-methylphenyl)methoxymethyl]-5-methylaniline
CID 141256981
2-prop-2-enylaniline
CID 3036592
4-methyl-1-N,1-N-bis(prop-2-enyl)benzene-1,2-diamine
CID 56831517
5-methyl-2-prop-2-enylsulfanylaniline
CID 43302273
palladium(2+);2-prop-2-enylaniline;dichloride
CID 3036591
4,5-dimethoxy-2-prop-2-enylaniline
CID 606353
6-methyl-3-prop-2-enylchromen-2-one
CID 101488026
4-tert-butyl-2-prop-2-enylaniline
CID 18363647
2-amino-5-methyl-4-prop-2-enylphenol
CID 163979621
2,4-bis(prop-2-enyl)aniline
CID 67154427
3-(5-methyl-2-prop-2-enylphenyl)propylcarbamic acid
CID 57167288

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-prop-2-enylaniline?
The IUPAC name of 5-methyl-2-prop-2-enylaniline (CID 45078970) is 5-methyl-2-prop-2-enylaniline.
What is the SMILES notation for 5-methyl-2-prop-2-enylaniline?
The canonical SMILES for 5-methyl-2-prop-2-enylaniline is C=CCc1ccc(C)cc1N.
What is the InChIKey of 5-methyl-2-prop-2-enylaniline?
The InChIKey is OSTCNIIZUAUWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-3-4-9-6-5-8(2)7-10(9)11/h3,5-7H,1,4,11H2,2H3.
What are the key properties of 5-methyl-2-prop-2-enylaniline?
5-methyl-2-prop-2-enylaniline has a molecular weight of 147.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-prop-2-enylaniline is sourced from PubChem (CID 45078970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).