3-[2-(2-methylphenyl)ethenyl]aniline

C15H15N — CID 86115385

IUPAC3-[2-(2-methylphenyl)ethenyl]aniline
SMILESCc1ccccc1C=Cc1cccc(N)c1
InChIInChI=1S/C15H15N/c1-12-5-2-3-7-14(12)10-9-13-6-4-8-15(16)11-13/h2-11H,16H2,1H3
InChIKeyGSRKGJKQPZXECG-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.75
Rot. Bonds2

About 3-[2-(2-methylphenyl)ethenyl]aniline

3-[2-(2-methylphenyl)ethenyl]aniline (PubChem CID 86115385) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[2-(2-methylphenyl)ethenyl]aniline.

Molecular Properties

Compound Name3-[2-(2-methylphenyl)ethenyl]aniline
PubChem CID86115385
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name3-[2-(2-methylphenyl)ethenyl]aniline
SMILESCc1ccccc1C=Cc1cccc(N)c1
InChIInChI=1S/C15H15N/c1-12-5-2-3-7-14(12)10-9-13-6-4-8-15(16)11-13/h2-11H,16H2,1H3
InChIKeyGSRKGJKQPZXECG-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-2-(2-methylphenyl)ethenyl]aniline
CID 58868755
2-methyl-4-[(E)-2-(2-methylphenyl)ethenyl]aniline
CID 137498181
2-fluoro-1,4-bis[(E)-2-(2-methylphenyl)ethenyl]benzene
CID 156631017
3-[(E)-2-methoxyethenyl]aniline
CID 71681260
2-methyl-6-[(E)-2-phenylethenyl]phenol
CID 22713146
5-amino-2-[2-(3-aminophenyl)ethenyl]benzenesulfonic acid
CID 172811149
5-[(E)-2-(3-aminophenyl)ethenyl]-4-methyl-3H-1,3-benzoxazol-2-one
CID 166323730
1-[(E)-2-(2-methylphenyl)ethenyl]cyclopropan-1-amine
CID 105435585
5,11,13,15-tetrakis[(E)-2-(2-methylphenyl)ethenyl]tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene
CID 10604517
1-[2-[2-methyl-4-(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 71388289
3-[(Z)-2-pyridin-3-ylethenyl]aniline
CID 101109294
1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene
CID 2729839

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylphenyl)ethenyl]aniline?
The IUPAC name of 3-[2-(2-methylphenyl)ethenyl]aniline (CID 86115385) is 3-[2-(2-methylphenyl)ethenyl]aniline.
What is the SMILES notation for 3-[2-(2-methylphenyl)ethenyl]aniline?
The canonical SMILES for 3-[2-(2-methylphenyl)ethenyl]aniline is Cc1ccccc1C=Cc1cccc(N)c1.
What is the InChIKey of 3-[2-(2-methylphenyl)ethenyl]aniline?
The InChIKey is GSRKGJKQPZXECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-12-5-2-3-7-14(12)10-9-13-6-4-8-15(16)11-13/h2-11H,16H2,1H3.
What are the key properties of 3-[2-(2-methylphenyl)ethenyl]aniline?
3-[2-(2-methylphenyl)ethenyl]aniline has a molecular weight of 209.29 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylphenyl)ethenyl]aniline is sourced from PubChem (CID 86115385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).