3-[5-(4-methoxyphenyl)-3-pyridinyl]butan-1-amine

C16H20N2O — CID 82542752

IUPAC3-[5-(4-methoxyphenyl)-3-pyridinyl]butan-1-amine
SMILESCOc1ccc(-c2cncc(C(C)CCN)c2)cc1
InChIInChI=1S/C16H20N2O/c1-12(7-8-17)14-9-15(11-18-10-14)13-3-5-16(19-2)6-4-13/h3-6,9-12H,7-8,17H2,1-2H3
InChIKeyZMERPCWNPPXUBU-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.21
Rot. Bonds5

About 3-[5-(4-methoxyphenyl)-3-pyridinyl]butan-1-amine

3-[5-(4-methoxyphenyl)-3-pyridinyl]butan-1-amine (PubChem CID 82542752) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)-3-pyridinyl]butan-1-amine.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)-3-pyridinyl]butan-1-amine
PubChem CID82542752
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-[5-(4-methoxyphenyl)-3-pyridinyl]butan-1-amine
SMILESCOc1ccc(-c2cncc(C(C)CCN)c2)cc1
InChIInChI=1S/C16H20N2O/c1-12(7-8-17)14-9-15(11-18-10-14)13-3-5-16(19-2)6-4-13/h3-6,9-12H,7-8,17H2,1-2H3
InChIKeyZMERPCWNPPXUBU-UHFFFAOYSA-N
XLogP3.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)-3-pyridinyl]butan-1-amine?
The IUPAC name of 3-[5-(4-methoxyphenyl)-3-pyridinyl]butan-1-amine (CID 82542752) is 3-[5-(4-methoxyphenyl)-3-pyridinyl]butan-1-amine.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)-3-pyridinyl]butan-1-amine?
The canonical SMILES for 3-[5-(4-methoxyphenyl)-3-pyridinyl]butan-1-amine is COc1ccc(-c2cncc(C(C)CCN)c2)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)-3-pyridinyl]butan-1-amine?
The InChIKey is ZMERPCWNPPXUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12(7-8-17)14-9-15(11-18-10-14)13-3-5-16(19-2)6-4-13/h3-6,9-12H,7-8,17H2,1-2H3.
What are the key properties of 3-[5-(4-methoxyphenyl)-3-pyridinyl]butan-1-amine?
3-[5-(4-methoxyphenyl)-3-pyridinyl]butan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)-3-pyridinyl]butan-1-amine is sourced from PubChem (CID 82542752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).