[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanamine

C17H19N — CID 166716573

IUPAC[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanamine
SMILESCc1ccc(/C=C/c2cc(C)cc(CN)c2)cc1
InChIInChI=1S/C17H19N/c1-13-3-5-15(6-4-13)7-8-16-9-14(2)10-17(11-16)12-18/h3-11H,12,18H2,1-2H3/b8-7+
InChIKeyLWYXKRQDZRUYTA-BQYQJAHWSA-N
MW237.35 g/mol
LogP3.93
Rot. Bonds3

About [3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanamine

[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanamine (PubChem CID 166716573) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is [3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanamine
PubChem CID166716573
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanamine
SMILESCc1ccc(/C=C/c2cc(C)cc(CN)c2)cc1
InChIInChI=1S/C17H19N/c1-13-3-5-15(6-4-13)7-8-16-9-14(2)10-17(11-16)12-18/h3-11H,12,18H2,1-2H3/b8-7+
InChIKeyLWYXKRQDZRUYTA-BQYQJAHWSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanamine?
The IUPAC name of [3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanamine (CID 166716573) is [3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanamine.
What is the SMILES notation for [3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanamine?
The canonical SMILES for [3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanamine is Cc1ccc(/C=C/c2cc(C)cc(CN)c2)cc1.
What is the InChIKey of [3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanamine?
The InChIKey is LWYXKRQDZRUYTA-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H19N/c1-13-3-5-15(6-4-13)7-8-16-9-14(2)10-17(11-16)12-18/h3-11H,12,18H2,1-2H3/b8-7+.
What are the key properties of [3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanamine?
[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanamine is sourced from PubChem (CID 166716573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).