3-methylaniline;styrene

C15H17N — CID 174647241

IUPAC3-methylaniline;styrene
SMILESC=Cc1ccccc1.Cc1cccc(N)c1
InChIInChI=1S/C8H8.C7H9N/c1-2-8-6-4-3-5-7-8;1-6-3-2-4-7(8)5-6/h2-7H,1H2;2-5H,8H2,1H3
InChIKeyLXLXTVYPEOIDJO-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.91
Rot. Bonds1

About 3-methylaniline;styrene

3-methylaniline;styrene (PubChem CID 174647241) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-methylaniline;styrene.

Molecular Properties

Compound Name3-methylaniline;styrene
PubChem CID174647241
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name3-methylaniline;styrene
SMILESC=Cc1ccccc1.Cc1cccc(N)c1
InChIInChI=1S/C8H8.C7H9N/c1-2-8-6-4-3-5-7-8;1-6-3-2-4-7(8)5-6/h2-7H,1H2;2-5H,8H2,1H3
InChIKeyLXLXTVYPEOIDJO-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylaniline;styrene?
The IUPAC name of 3-methylaniline;styrene (CID 174647241) is 3-methylaniline;styrene.
What is the SMILES notation for 3-methylaniline;styrene?
The canonical SMILES for 3-methylaniline;styrene is C=Cc1ccccc1.Cc1cccc(N)c1.
What is the InChIKey of 3-methylaniline;styrene?
The InChIKey is LXLXTVYPEOIDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C7H9N/c1-2-8-6-4-3-5-7-8;1-6-3-2-4-7(8)5-6/h2-7H,1H2;2-5H,8H2,1H3.
What are the key properties of 3-methylaniline;styrene?
3-methylaniline;styrene has a molecular weight of 211.31 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylaniline;styrene is sourced from PubChem (CID 174647241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).