(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine

C13H18N2 — CID 10330491

IUPAC(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
SMILESNCC1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H18N2/c14-10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13/h1-6H,7-11,14H2
InChIKeyMXOAGBOBRDXXEO-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.78
Rot. Bonds3

About (1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine

(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine (PubChem CID 10330491) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine.

Molecular Properties

Compound Name(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
PubChem CID10330491
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
SMILESNCC1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H18N2/c14-10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13/h1-6H,7-11,14H2
InChIKeyMXOAGBOBRDXXEO-UHFFFAOYSA-N
XLogP1.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine;2-chloropropane;dihydrochloride
CID 75485433
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane
CID 143581792
ethyl 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)acetate
CID 13349686
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-N-methylpropan-2-amine
CID 117205735
4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline
CID 22499416
1-benzyl-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
CID 54506331
1-benzyl-4-(2-phenylethynyl)-3,6-dihydro-2H-pyridine
CID 11821785
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
CID 19900296
ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 787906
1-benzyl-4-cyclopropyloxy-3,6-dihydro-2H-pyridine
CID 178156806
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-[(2-bromo-3,4-dimethylphenoxy)methyl]-3,6-dihydro-2H-pyridine
CID 177120343

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
The IUPAC name of (1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine (CID 10330491) is (1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine.
What is the SMILES notation for (1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
The canonical SMILES for (1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine is NCC1=CCN(Cc2ccccc2)CC1.
What is the InChIKey of (1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
The InChIKey is MXOAGBOBRDXXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c14-10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13/h1-6H,7-11,14H2.
What are the key properties of (1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine has a molecular weight of 202.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine is sourced from PubChem (CID 10330491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).