5-[(4-methylphenyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine

C13H18N2 — CID 165456524

IUPAC5-[(4-methylphenyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine
SMILESCc1ccc(CC2=CC(N)CNC2)cc1
InChIInChI=1S/C13H18N2/c1-10-2-4-11(5-3-10)6-12-7-13(14)9-15-8-12/h2-5,7,13,15H,6,8-9,14H2,1H3
InChIKeySGCOZPMJOITQSW-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.39
Rot. Bonds2

About 5-[(4-methylphenyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine

5-[(4-methylphenyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine (PubChem CID 165456524) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine.

Molecular Properties

Compound Name5-[(4-methylphenyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine
PubChem CID165456524
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name5-[(4-methylphenyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine
SMILESCc1ccc(CC2=CC(N)CNC2)cc1
InChIInChI=1S/C13H18N2/c1-10-2-4-11(5-3-10)6-12-7-13(14)9-15-8-12/h2-5,7,13,15H,6,8-9,14H2,1H3
InChIKeySGCOZPMJOITQSW-UHFFFAOYSA-N
XLogP1.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine?
The IUPAC name of 5-[(4-methylphenyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine (CID 165456524) is 5-[(4-methylphenyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine.
What is the SMILES notation for 5-[(4-methylphenyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine?
The canonical SMILES for 5-[(4-methylphenyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine is Cc1ccc(CC2=CC(N)CNC2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine?
The InChIKey is SGCOZPMJOITQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10-2-4-11(5-3-10)6-12-7-13(14)9-15-8-12/h2-5,7,13,15H,6,8-9,14H2,1H3.
What are the key properties of 5-[(4-methylphenyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine?
5-[(4-methylphenyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine has a molecular weight of 202.30 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine is sourced from PubChem (CID 165456524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).