4-phenoxy-1-pyridin-4-ylbutan-1-amine

C15H18N2O — CID 114991659

IUPAC4-phenoxy-1-pyridin-4-ylbutan-1-amine
SMILESNC(CCCOc1ccccc1)c1ccncc1
InChIInChI=1S/C15H18N2O/c16-15(13-8-10-17-11-9-13)7-4-12-18-14-5-2-1-3-6-14/h1-3,5-6,8-11,15H,4,7,12,16H2
InChIKeyIQOYOOOCUASXIE-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.94
Rot. Bonds6

About 4-phenoxy-1-pyridin-4-ylbutan-1-amine

4-phenoxy-1-pyridin-4-ylbutan-1-amine (PubChem CID 114991659) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-phenoxy-1-pyridin-4-ylbutan-1-amine.

Molecular Properties

Compound Name4-phenoxy-1-pyridin-4-ylbutan-1-amine
PubChem CID114991659
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-phenoxy-1-pyridin-4-ylbutan-1-amine
SMILESNC(CCCOc1ccccc1)c1ccncc1
InChIInChI=1S/C15H18N2O/c16-15(13-8-10-17-11-9-13)7-4-12-18-14-5-2-1-3-6-14/h1-3,5-6,8-11,15H,4,7,12,16H2
InChIKeyIQOYOOOCUASXIE-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(5-phenoxy-1-phenylpentyl)pyridine
CID 117067769
4-methoxy-1-pyridin-4-ylbutan-1-amine
CID 115601661
3-phenoxy-1-pyridin-4-ylpropan-1-ol
CID 115003137
(1S)-1-(4-chlorophenyl)-3-phenoxypropan-1-amine
CID 51889884
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698
3-(4-phenylphenoxy)-1-pyridin-3-ylpropan-1-amine
CID 67809514
3-phenoxy-1-quinolin-6-ylpropan-1-amine
CID 78924724
(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171219804
(1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride
CID 171200265
(1R)-1-pyridin-4-ylhexan-1-amine
CID 94506997
1-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 54001811
1-pyridin-4-ylnonan-1-amine
CID 62600271

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-1-pyridin-4-ylbutan-1-amine?
The IUPAC name of 4-phenoxy-1-pyridin-4-ylbutan-1-amine (CID 114991659) is 4-phenoxy-1-pyridin-4-ylbutan-1-amine.
What is the SMILES notation for 4-phenoxy-1-pyridin-4-ylbutan-1-amine?
The canonical SMILES for 4-phenoxy-1-pyridin-4-ylbutan-1-amine is NC(CCCOc1ccccc1)c1ccncc1.
What is the InChIKey of 4-phenoxy-1-pyridin-4-ylbutan-1-amine?
The InChIKey is IQOYOOOCUASXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-15(13-8-10-17-11-9-13)7-4-12-18-14-5-2-1-3-6-14/h1-3,5-6,8-11,15H,4,7,12,16H2.
What are the key properties of 4-phenoxy-1-pyridin-4-ylbutan-1-amine?
4-phenoxy-1-pyridin-4-ylbutan-1-amine has a molecular weight of 242.32 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-1-pyridin-4-ylbutan-1-amine is sourced from PubChem (CID 114991659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).