3-(4-propoxyphenyl)-2-pyridin-2-ylpropan-1-amine

C17H22N2O — CID 83975865

IUPAC3-(4-propoxyphenyl)-2-pyridin-2-ylpropan-1-amine
SMILESCCCOc1ccc(CC(CN)c2ccccn2)cc1
InChIInChI=1S/C17H22N2O/c1-2-11-20-16-8-6-14(7-9-16)12-15(13-18)17-5-3-4-10-19-17/h3-10,15H,2,11-13,18H2,1H3
InChIKeyYLKAJXGCRIZRHC-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.16
Rot. Bonds7

About 3-(4-propoxyphenyl)-2-pyridin-2-ylpropan-1-amine

3-(4-propoxyphenyl)-2-pyridin-2-ylpropan-1-amine (PubChem CID 83975865) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(4-propoxyphenyl)-2-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-propoxyphenyl)-2-pyridin-2-ylpropan-1-amine
PubChem CID83975865
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(4-propoxyphenyl)-2-pyridin-2-ylpropan-1-amine
SMILESCCCOc1ccc(CC(CN)c2ccccn2)cc1
InChIInChI=1S/C17H22N2O/c1-2-11-20-16-8-6-14(7-9-16)12-15(13-18)17-5-3-4-10-19-17/h3-10,15H,2,11-13,18H2,1H3
InChIKeyYLKAJXGCRIZRHC-UHFFFAOYSA-N
XLogP3.16
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine
CID 112509068
3-[4-[(3-methylphenyl)methoxy]phenyl]-2-pyridin-2-ylpropan-1-amine
CID 83975870
3-(4-bromophenyl)-2-pyridin-2-ylpropan-1-amine
CID 82094286
4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol
CID 83975818
3-(4-methoxyphenoxy)-2-pyridin-2-ylpropan-1-amine
CID 112516627
2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83972609
3-(3,5-dichloro-4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine
CID 83975851
3-(3-methylphenyl)-2-pyridin-2-ylpropan-1-amine
CID 82080996
1-(4-propoxyphenyl)propan-2-amine;hydrochloride
CID 3027264
2-[1-(4-bromophenyl)butan-2-yl]pyridine;hydrazine
CID 70296015
2-[4-[1-amino-3-(4-heptoxyphenyl)propan-2-yl]phenyl]-3-(4-heptoxyphenyl)propan-1-amine
CID 19885129
4-(3-amino-2-pyridin-2-ylpropyl)-2-chlorophenol
CID 83975838

Frequently Asked Questions

What is the IUPAC name of 3-(4-propoxyphenyl)-2-pyridin-2-ylpropan-1-amine?
The IUPAC name of 3-(4-propoxyphenyl)-2-pyridin-2-ylpropan-1-amine (CID 83975865) is 3-(4-propoxyphenyl)-2-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-propoxyphenyl)-2-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-propoxyphenyl)-2-pyridin-2-ylpropan-1-amine is CCCOc1ccc(CC(CN)c2ccccn2)cc1.
What is the InChIKey of 3-(4-propoxyphenyl)-2-pyridin-2-ylpropan-1-amine?
The InChIKey is YLKAJXGCRIZRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-11-20-16-8-6-14(7-9-16)12-15(13-18)17-5-3-4-10-19-17/h3-10,15H,2,11-13,18H2,1H3.
What are the key properties of 3-(4-propoxyphenyl)-2-pyridin-2-ylpropan-1-amine?
3-(4-propoxyphenyl)-2-pyridin-2-ylpropan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propoxyphenyl)-2-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 83975865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).