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

C18H20N2 — CID 22499416

IUPAC4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline
SMILESNc1ccc(C2=CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N2/c19-18-8-6-16(7-9-18)17-10-12-20(13-11-17)14-15-4-2-1-3-5-15/h1-10H,11-14,19H2
InChIKeyZDKXYUZLBGPCLJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.56
Rot. Bonds3

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

4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline (PubChem CID 22499416) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline.

Molecular Properties

Compound Name4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline
PubChem CID22499416
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline
SMILESNc1ccc(C2=CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N2/c19-18-8-6-16(7-9-18)17-10-12-20(13-11-17)14-15-4-2-1-3-5-15/h1-10H,11-14,19H2
InChIKeyZDKXYUZLBGPCLJ-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine
CID 59628497
4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline
CID 82364120
(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
CID 10330491
benzyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 90182373
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloropyridine
CID 23435960
4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol
CID 6456261
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)cyclohex-2-en-1-one
CID 67129694
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;hydrochloride
CID 131711213
1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine
CID 70272863
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole
CID 749986
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine;2-chloropropane;dihydrochloride
CID 75485433
6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 91675222

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline?
The IUPAC name of 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline (CID 22499416) is 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline.
What is the SMILES notation for 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline?
The canonical SMILES for 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline is Nc1ccc(C2=CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline?
The InChIKey is ZDKXYUZLBGPCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c19-18-8-6-16(7-9-18)17-10-12-20(13-11-17)14-15-4-2-1-3-5-15/h1-10H,11-14,19H2.
What are the key properties of 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline?
4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline has a molecular weight of 264.37 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline is sourced from PubChem (CID 22499416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).