3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine

C15H18N2O — CID 117095285

IUPAC3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine
SMILESNCCCc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C15H18N2O/c16-10-3-4-13-6-8-15(9-7-13)18-12-14-5-1-2-11-17-14/h1-2,5-9,11H,3-4,10,12,16H2
InChIKeyHGKQWIFXXPDVFD-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.55
Rot. Bonds6

About 3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine

3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine (PubChem CID 117095285) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine
PubChem CID117095285
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine
SMILESNCCCc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C15H18N2O/c16-10-3-4-13-6-8-15(9-7-13)18-12-14-5-1-2-11-17-14/h1-2,5-9,11H,3-4,10,12,16H2
InChIKeyHGKQWIFXXPDVFD-UHFFFAOYSA-N
XLogP2.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-phenylethyl)-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 120871869
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide
CID 24703645
4-(pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24690240
2-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]pyridine
CID 50959322
(1R)-1-[4-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 30121102
2-[[4-(pyrazol-1-ylmethyl)phenoxy]methyl]pyridine
CID 141170950
2-(pyridin-1-ium-4-yloxymethyl)pyridine
CID 59293395
2-methyl-2-methylsulfanyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide
CID 123858091
methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate
CID 23549386
N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 24698261

Frequently Asked Questions

What is the IUPAC name of 3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine?
The IUPAC name of 3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine (CID 117095285) is 3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine?
The canonical SMILES for 3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine is NCCCc1ccc(OCc2ccccn2)cc1.
What is the InChIKey of 3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine?
The InChIKey is HGKQWIFXXPDVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-10-3-4-13-6-8-15(9-7-13)18-12-14-5-1-2-11-17-14/h1-2,5-9,11H,3-4,10,12,16H2.
What are the key properties of 3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine?
3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine has a molecular weight of 242.32 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pyridin-2-ylmethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 117095285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).