4-(1-phenyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-amine

C15H22N2 — CID 70108872

IUPAC4-(1-phenyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-amine
SMILESNCCCCC1CCC=CN1c1ccccc1
InChIInChI=1S/C15H22N2/c16-12-6-4-10-15-11-5-7-13-17(15)14-8-2-1-3-9-14/h1-3,7-9,13,15H,4-6,10-12,16H2
InChIKeyCHCJWIZFOFQUKJ-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.30
Rot. Bonds5

About 4-(1-phenyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-amine

4-(1-phenyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-amine (PubChem CID 70108872) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 4-(1-phenyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-(1-phenyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-amine
PubChem CID70108872
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name4-(1-phenyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-amine
SMILESNCCCCC1CCC=CN1c1ccccc1
InChIInChI=1S/C15H22N2/c16-12-6-4-10-15-11-5-7-13-17(15)14-8-2-1-3-9-14/h1-3,7-9,13,15H,4-6,10-12,16H2
InChIKeyCHCJWIZFOFQUKJ-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-amine?
The IUPAC name of 4-(1-phenyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-amine (CID 70108872) is 4-(1-phenyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-amine.
What is the SMILES notation for 4-(1-phenyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-amine?
The canonical SMILES for 4-(1-phenyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-amine is NCCCCC1CCC=CN1c1ccccc1.
What is the InChIKey of 4-(1-phenyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-amine?
The InChIKey is CHCJWIZFOFQUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c16-12-6-4-10-15-11-5-7-13-17(15)14-8-2-1-3-9-14/h1-3,7-9,13,15H,4-6,10-12,16H2.
What are the key properties of 4-(1-phenyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-amine?
4-(1-phenyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-amine has a molecular weight of 230.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-amine is sourced from PubChem (CID 70108872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).