2-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]ethanamine

C14H20N2 — CID 114410595

IUPAC2-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]ethanamine
SMILESNCCc1ccccc1CN1CC=CCC1
InChIInChI=1S/C14H20N2/c15-9-8-13-6-2-3-7-14(13)12-16-10-4-1-5-11-16/h1-4,6-7H,5,8-12,15H2
InChIKeyJPZLURYZVJSOLB-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.95
Rot. Bonds4

About 2-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]ethanamine

2-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]ethanamine (PubChem CID 114410595) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]ethanamine
PubChem CID114410595
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]ethanamine
SMILESNCCc1ccccc1CN1CC=CCC1
InChIInChI=1S/C14H20N2/c15-9-8-13-6-2-3-7-14(13)12-16-10-4-1-5-11-16/h1-4,6-7H,5,8-12,15H2
InChIKeyJPZLURYZVJSOLB-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
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 2-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]ethanamine?
The IUPAC name of 2-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]ethanamine (CID 114410595) is 2-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]ethanamine is NCCc1ccccc1CN1CC=CCC1.
What is the InChIKey of 2-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]ethanamine?
The InChIKey is JPZLURYZVJSOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c15-9-8-13-6-2-3-7-14(13)12-16-10-4-1-5-11-16/h1-4,6-7H,5,8-12,15H2.
What are the key properties of 2-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]ethanamine?
2-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]ethanamine has a molecular weight of 216.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]ethanamine is sourced from PubChem (CID 114410595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).