N-ethenyl-3-methylaniline

C9H11N — CID 69480469

IUPACN-ethenyl-3-methylaniline
SMILESC=CNc1cccc(C)c1
InChIInChI=1S/C9H11N/c1-3-10-9-6-4-5-8(2)7-9/h3-7,10H,1H2,2H3
InChIKeyRWNAHGIGWMQSGI-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.55
Rot. Bonds2

About N-ethenyl-3-methylaniline

N-ethenyl-3-methylaniline (PubChem CID 69480469) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is N-ethenyl-3-methylaniline.

Molecular Properties

Compound NameN-ethenyl-3-methylaniline
PubChem CID69480469
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC NameN-ethenyl-3-methylaniline
SMILESC=CNc1cccc(C)c1
InChIInChI=1S/C9H11N/c1-3-10-9-6-4-5-8(2)7-9/h3-7,10H,1H2,2H3
InChIKeyRWNAHGIGWMQSGI-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-propa-1,2-dienylaniline
CID 176533877
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(3-methylanilino)azanium
CID 4555748
1-(3-methylanilino)oxyethenol
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N,3-dimethylaniline;methyl formate
CID 143511475
2-methyl-2-(3-methylanilino)propanenitrile
CID 60719838
2-bromo-N-(3-methylphenyl)prop-2-enamide
CID 150882432
penta-1,4-diene;1,3-xylene
CID 173131413
1-(3-methylanilino)-3-prop-2-enylthiourea
CID 8668733
N-(1-chloroethenyl)-3-methylaniline
CID 71411235
N,4-dimethylaniline;1-ethenyl-3-methylbenzene
CID 142013646
3-(3-methylanilino)but-2-enenitrile
CID 69352356

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-methylaniline?
The IUPAC name of N-ethenyl-3-methylaniline (CID 69480469) is N-ethenyl-3-methylaniline.
What is the SMILES notation for N-ethenyl-3-methylaniline?
The canonical SMILES for N-ethenyl-3-methylaniline is C=CNc1cccc(C)c1.
What is the InChIKey of N-ethenyl-3-methylaniline?
The InChIKey is RWNAHGIGWMQSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-3-10-9-6-4-5-8(2)7-9/h3-7,10H,1H2,2H3.
What are the key properties of N-ethenyl-3-methylaniline?
N-ethenyl-3-methylaniline has a molecular weight of 133.19 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-methylaniline is sourced from PubChem (CID 69480469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).