2-(4-methoxyphenyl)-4-pyridin-4-ylbutan-1-amine

C16H20N2O — CID 112509074

IUPAC2-(4-methoxyphenyl)-4-pyridin-4-ylbutan-1-amine
SMILESCOc1ccc(C(CN)CCc2ccncc2)cc1
InChIInChI=1S/C16H20N2O/c1-19-16-6-4-14(5-7-16)15(12-17)3-2-13-8-10-18-11-9-13/h4-11,15H,2-3,12,17H2,1H3
InChIKeyNYUAIIRDMTVDNE-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.77
Rot. Bonds6

About 2-(4-methoxyphenyl)-4-pyridin-4-ylbutan-1-amine

2-(4-methoxyphenyl)-4-pyridin-4-ylbutan-1-amine (PubChem CID 112509074) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-pyridin-4-ylbutan-1-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-pyridin-4-ylbutan-1-amine
PubChem CID112509074
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(4-methoxyphenyl)-4-pyridin-4-ylbutan-1-amine
SMILESCOc1ccc(C(CN)CCc2ccncc2)cc1
InChIInChI=1S/C16H20N2O/c1-19-16-6-4-14(5-7-16)15(12-17)3-2-13-8-10-18-11-9-13/h4-11,15H,2-3,12,17H2,1H3
InChIKeyNYUAIIRDMTVDNE-UHFFFAOYSA-N
XLogP2.77
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827
2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine
CID 117245021
1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105086648
4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine
CID 81394593
1-(4-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 60909806
2-(4-methoxyphenyl)pent-4-yn-1-amine
CID 84752978
2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine
CID 115038406
(2R)-2,4-diphenylbutan-1-amine
CID 10998696
3-(4-methoxyphenoxy)-3-pyridin-4-ylpropan-1-amine;hydrochloride
CID 142659872

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-pyridin-4-ylbutan-1-amine?
The IUPAC name of 2-(4-methoxyphenyl)-4-pyridin-4-ylbutan-1-amine (CID 112509074) is 2-(4-methoxyphenyl)-4-pyridin-4-ylbutan-1-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-pyridin-4-ylbutan-1-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-4-pyridin-4-ylbutan-1-amine is COc1ccc(C(CN)CCc2ccncc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-pyridin-4-ylbutan-1-amine?
The InChIKey is NYUAIIRDMTVDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-19-16-6-4-14(5-7-16)15(12-17)3-2-13-8-10-18-11-9-13/h4-11,15H,2-3,12,17H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4-pyridin-4-ylbutan-1-amine?
2-(4-methoxyphenyl)-4-pyridin-4-ylbutan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-pyridin-4-ylbutan-1-amine is sourced from PubChem (CID 112509074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).