4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine

C16H20N2 — CID 2846250

IUPAC4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine
SMILESCC(CCc1ccccc1)NCc1ccncc1
InChIInChI=1S/C16H20N2/c1-14(7-8-15-5-3-2-4-6-15)18-13-16-9-11-17-12-10-16/h2-6,9-12,14,18H,7-8,13H2,1H3
InChIKeyYISYWSYTOXIDOU-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.19
Rot. Bonds6

About 4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine

4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine (PubChem CID 2846250) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine
PubChem CID2846250
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine
SMILESCC(CCc1ccccc1)NCc1ccncc1
InChIInChI=1S/C16H20N2/c1-14(7-8-15-5-3-2-4-6-15)18-13-16-9-11-17-12-10-16/h2-6,9-12,14,18H,7-8,13H2,1H3
InChIKeyYISYWSYTOXIDOU-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine?
The IUPAC name of 4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine (CID 2846250) is 4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine.
What is the SMILES notation for 4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine?
The canonical SMILES for 4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine is CC(CCc1ccccc1)NCc1ccncc1.
What is the InChIKey of 4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine?
The InChIKey is YISYWSYTOXIDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-14(7-8-15-5-3-2-4-6-15)18-13-16-9-11-17-12-10-16/h2-6,9-12,14,18H,7-8,13H2,1H3.
What are the key properties of 4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine?
4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine has a molecular weight of 240.35 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine is sourced from PubChem (CID 2846250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).