4-[1-(2-pyridin-3-ylethylamino)propyl]phenol

C16H20N2O — CID 60893733

IUPAC4-[1-(2-pyridin-3-ylethylamino)propyl]phenol
SMILESCCC(NCCc1cccnc1)c1ccc(O)cc1
InChIInChI=1S/C16H20N2O/c1-2-16(14-5-7-15(19)8-6-14)18-11-9-13-4-3-10-17-12-13/h3-8,10,12,16,18-19H,2,9,11H2,1H3
InChIKeyVAQUNCXKEMKOCJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.07
Rot. Bonds6

About 4-[1-(2-pyridin-3-ylethylamino)propyl]phenol

4-[1-(2-pyridin-3-ylethylamino)propyl]phenol (PubChem CID 60893733) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[1-(2-pyridin-3-ylethylamino)propyl]phenol.

Molecular Properties

Compound Name4-[1-(2-pyridin-3-ylethylamino)propyl]phenol
PubChem CID60893733
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-[1-(2-pyridin-3-ylethylamino)propyl]phenol
SMILESCCC(NCCc1cccnc1)c1ccc(O)cc1
InChIInChI=1S/C16H20N2O/c1-2-16(14-5-7-15(19)8-6-14)18-11-9-13-4-3-10-17-12-13/h3-8,10,12,16,18-19H,2,9,11H2,1H3
InChIKeyVAQUNCXKEMKOCJ-UHFFFAOYSA-N
XLogP3.07
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine
CID 60913064
3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine
CID 60896076
2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine
CID 103913604
1-(4-methylphenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105092564
4-[1-[2-(1,3-thiazol-2-yl)ethylamino]propyl]phenol
CID 63242196
N-propyl-1-[3-(pyridin-3-ylmethyl)phenyl]propan-1-amine
CID 104736871
1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine
CID 60896080
1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine
CID 104737019
N',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine
CID 69260242
N-ethyl-1-(4-propylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105144433
N-pentan-3-yl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60913079
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-pyridin-3-ylethylamino)propyl]phenol?
The IUPAC name of 4-[1-(2-pyridin-3-ylethylamino)propyl]phenol (CID 60893733) is 4-[1-(2-pyridin-3-ylethylamino)propyl]phenol.
What is the SMILES notation for 4-[1-(2-pyridin-3-ylethylamino)propyl]phenol?
The canonical SMILES for 4-[1-(2-pyridin-3-ylethylamino)propyl]phenol is CCC(NCCc1cccnc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(2-pyridin-3-ylethylamino)propyl]phenol?
The InChIKey is VAQUNCXKEMKOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-16(14-5-7-15(19)8-6-14)18-11-9-13-4-3-10-17-12-13/h3-8,10,12,16,18-19H,2,9,11H2,1H3.
What are the key properties of 4-[1-(2-pyridin-3-ylethylamino)propyl]phenol?
4-[1-(2-pyridin-3-ylethylamino)propyl]phenol has a molecular weight of 256.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-pyridin-3-ylethylamino)propyl]phenol is sourced from PubChem (CID 60893733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).