3-[5-(2-methoxyphenyl)-3-pyridinyl]butan-1-amine

C16H20N2O — CID 82542720

IUPAC3-[5-(2-methoxyphenyl)-3-pyridinyl]butan-1-amine
SMILESCOc1ccccc1-c1cncc(C(C)CCN)c1
InChIInChI=1S/C16H20N2O/c1-12(7-8-17)13-9-14(11-18-10-13)15-5-3-4-6-16(15)19-2/h3-6,9-12H,7-8,17H2,1-2H3
InChIKeyZBMSWMBGVKJBOA-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.21
Rot. Bonds5

About 3-[5-(2-methoxyphenyl)-3-pyridinyl]butan-1-amine

3-[5-(2-methoxyphenyl)-3-pyridinyl]butan-1-amine (PubChem CID 82542720) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[5-(2-methoxyphenyl)-3-pyridinyl]butan-1-amine.

Molecular Properties

Compound Name3-[5-(2-methoxyphenyl)-3-pyridinyl]butan-1-amine
PubChem CID82542720
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-[5-(2-methoxyphenyl)-3-pyridinyl]butan-1-amine
SMILESCOc1ccccc1-c1cncc(C(C)CCN)c1
InChIInChI=1S/C16H20N2O/c1-12(7-8-17)13-9-14(11-18-10-13)15-5-3-4-6-16(15)19-2/h3-6,9-12H,7-8,17H2,1-2H3
InChIKeyZBMSWMBGVKJBOA-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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Related Compounds

3-[5-(4-methoxyphenyl)-3-pyridinyl]butan-1-amine
CID 82542752
[5-(2-methoxyphenyl)-3-pyridinyl]methanamine;dihydrochloride
CID 171365623
3-[5-(4-fluorophenyl)-3-pyridinyl]butan-1-amine
CID 82542814
3-[5-(3-fluorophenyl)-3-pyridinyl]butan-1-amine
CID 82542784
3-[5-(3,4-difluorophenyl)-3-pyridinyl]butan-1-amine
CID 82542631
1-[5-(2-methoxy-5-methylphenyl)-3-pyridinyl]ethanamine
CID 82541817
3-(3,4-dimethoxy-5-phenylphenyl)butan-1-amine
CID 82542986
3-[3-(3,4-dimethoxyphenyl)phenyl]butan-1-amine
CID 82542335
3-[5-(2-methoxyphenyl)furan-2-yl]butan-1-amine
CID 82542723
5-[4-(2-methoxyphenyl)phenyl]-3-methylpentan-1-amine
CID 82542712
3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methoxyphenyl)-3-pyridinyl]butan-1-amine?
The IUPAC name of 3-[5-(2-methoxyphenyl)-3-pyridinyl]butan-1-amine (CID 82542720) is 3-[5-(2-methoxyphenyl)-3-pyridinyl]butan-1-amine.
What is the SMILES notation for 3-[5-(2-methoxyphenyl)-3-pyridinyl]butan-1-amine?
The canonical SMILES for 3-[5-(2-methoxyphenyl)-3-pyridinyl]butan-1-amine is COc1ccccc1-c1cncc(C(C)CCN)c1.
What is the InChIKey of 3-[5-(2-methoxyphenyl)-3-pyridinyl]butan-1-amine?
The InChIKey is ZBMSWMBGVKJBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12(7-8-17)13-9-14(11-18-10-13)15-5-3-4-6-16(15)19-2/h3-6,9-12H,7-8,17H2,1-2H3.
What are the key properties of 3-[5-(2-methoxyphenyl)-3-pyridinyl]butan-1-amine?
3-[5-(2-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-(2-methoxyphenyl)-3-pyridinyl]butan-1-amine is sourced from PubChem (CID 82542720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).