4-[2-(3-methylphenyl)ethenyl]aniline

C15H15N — CID 59935146

IUPAC4-[2-(3-methylphenyl)ethenyl]aniline
SMILESCc1cccc(C=Cc2ccc(N)cc2)c1
InChIInChI=1S/C15H15N/c1-12-3-2-4-14(11-12)6-5-13-7-9-15(16)10-8-13/h2-11H,16H2,1H3
InChIKeySWKKULYHJASRDJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.75
Rot. Bonds2

About 4-[2-(3-methylphenyl)ethenyl]aniline

4-[2-(3-methylphenyl)ethenyl]aniline (PubChem CID 59935146) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[2-(3-methylphenyl)ethenyl]aniline.

Molecular Properties

Compound Name4-[2-(3-methylphenyl)ethenyl]aniline
PubChem CID59935146
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name4-[2-(3-methylphenyl)ethenyl]aniline
SMILESCc1cccc(C=Cc2ccc(N)cc2)c1
InChIInChI=1S/C15H15N/c1-12-3-2-4-14(11-12)6-5-13-7-9-15(16)10-8-13/h2-11H,16H2,1H3
InChIKeySWKKULYHJASRDJ-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

1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene
CID 91179639
1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 102133829
N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline
CID 6538430
(Z)-2-(3-methylphenyl)ethenamine
CID 142266989
4-(2-phenylethenyl)aniline
CID 13265
1-[(4-aminophenyl)methyl]-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 94758175
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
3-[(E)-2-(4-aminophenyl)ethenyl]-5-methylphenol
CID 144918045
ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene
CID 163241794
1-azido-4-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 100945639

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylphenyl)ethenyl]aniline?
The IUPAC name of 4-[2-(3-methylphenyl)ethenyl]aniline (CID 59935146) is 4-[2-(3-methylphenyl)ethenyl]aniline.
What is the SMILES notation for 4-[2-(3-methylphenyl)ethenyl]aniline?
The canonical SMILES for 4-[2-(3-methylphenyl)ethenyl]aniline is Cc1cccc(C=Cc2ccc(N)cc2)c1.
What is the InChIKey of 4-[2-(3-methylphenyl)ethenyl]aniline?
The InChIKey is SWKKULYHJASRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-12-3-2-4-14(11-12)6-5-13-7-9-15(16)10-8-13/h2-11H,16H2,1H3.
What are the key properties of 4-[2-(3-methylphenyl)ethenyl]aniline?
4-[2-(3-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 4-[2-(3-methylphenyl)ethenyl]aniline is sourced from PubChem (CID 59935146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).