N-[phenyl(pyridin-4-yl)methyl]butan-1-amine

C16H20N2 — CID 2834981

IUPACN-[phenyl(pyridin-4-yl)methyl]butan-1-amine
SMILESCCCCNC(c1ccccc1)c1ccncc1
InChIInChI=1S/C16H20N2/c1-2-3-11-18-16(14-7-5-4-6-8-14)15-9-12-17-13-10-15/h4-10,12-13,16,18H,2-3,11H2,1H3
InChIKeyFRTGFTDPOVXTHJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.56
Rot. Bonds6

About N-[phenyl(pyridin-4-yl)methyl]butan-1-amine

N-[phenyl(pyridin-4-yl)methyl]butan-1-amine (PubChem CID 2834981) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[phenyl(pyridin-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[phenyl(pyridin-4-yl)methyl]butan-1-amine
PubChem CID2834981
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-[phenyl(pyridin-4-yl)methyl]butan-1-amine
SMILESCCCCNC(c1ccccc1)c1ccncc1
InChIInChI=1S/C16H20N2/c1-2-3-11-18-16(14-7-5-4-6-8-14)15-9-12-17-13-10-15/h4-10,12-13,16,18H,2-3,11H2,1H3
InChIKeyFRTGFTDPOVXTHJ-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.56
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 N-[phenyl(pyridin-4-yl)methyl]butan-1-amine?
The IUPAC name of N-[phenyl(pyridin-4-yl)methyl]butan-1-amine (CID 2834981) is N-[phenyl(pyridin-4-yl)methyl]butan-1-amine.
What is the SMILES notation for N-[phenyl(pyridin-4-yl)methyl]butan-1-amine?
The canonical SMILES for N-[phenyl(pyridin-4-yl)methyl]butan-1-amine is CCCCNC(c1ccccc1)c1ccncc1.
What is the InChIKey of N-[phenyl(pyridin-4-yl)methyl]butan-1-amine?
The InChIKey is FRTGFTDPOVXTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-3-11-18-16(14-7-5-4-6-8-14)15-9-12-17-13-10-15/h4-10,12-13,16,18H,2-3,11H2,1H3.
What are the key properties of N-[phenyl(pyridin-4-yl)methyl]butan-1-amine?
N-[phenyl(pyridin-4-yl)methyl]butan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(pyridin-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 2834981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).