3-(4-phenylphenoxy)-1-pyridin-3-ylpropan-1-amine

C20H20N2O — CID 67809514

IUPAC3-(4-phenylphenoxy)-1-pyridin-3-ylpropan-1-amine
SMILESNC(CCOc1ccc(-c2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C20H20N2O/c21-20(18-7-4-13-22-15-18)12-14-23-19-10-8-17(9-11-19)16-5-2-1-3-6-16/h1-11,13,15,20H,12,14,21H2
InChIKeyIIAJZQJQOJGLHI-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.22
Rot. Bonds6

About 3-(4-phenylphenoxy)-1-pyridin-3-ylpropan-1-amine

3-(4-phenylphenoxy)-1-pyridin-3-ylpropan-1-amine (PubChem CID 67809514) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-(4-phenylphenoxy)-1-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-phenylphenoxy)-1-pyridin-3-ylpropan-1-amine
PubChem CID67809514
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name3-(4-phenylphenoxy)-1-pyridin-3-ylpropan-1-amine
SMILESNC(CCOc1ccc(-c2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C20H20N2O/c21-20(18-7-4-13-22-15-18)12-14-23-19-10-8-17(9-11-19)16-5-2-1-3-6-16/h1-11,13,15,20H,12,14,21H2
InChIKeyIIAJZQJQOJGLHI-UHFFFAOYSA-N
XLogP4.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenoxy)-1-pyridin-3-ylpropan-1-amine
CID 54971173
1-pyridin-3-ylpropane-1,3-diamine
CID 116932848
(1R)-3-fluoro-1-pyridin-3-ylpropan-1-amine;hydrochloride
CID 171201508
4-phenoxy-1-pyridin-4-ylbutan-1-amine
CID 114991659
(1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine
CID 81404248
2-phenyl-1-pyridin-3-ylethanamine
CID 10352711
(1S)-2-phenyl-1-pyridin-3-ylethanamine
CID 93312491
2-amino-4-(4-phenylphenoxy)butanoic acid
CID 63041328
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine
CID 21156680
3-phenoxy-1-quinolin-6-ylpropan-1-amine
CID 78924724
(4R)-4-amino-4-pyridin-3-ylbutan-1-ol
CID 15886729

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenoxy)-1-pyridin-3-ylpropan-1-amine?
The IUPAC name of 3-(4-phenylphenoxy)-1-pyridin-3-ylpropan-1-amine (CID 67809514) is 3-(4-phenylphenoxy)-1-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 3-(4-phenylphenoxy)-1-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 3-(4-phenylphenoxy)-1-pyridin-3-ylpropan-1-amine is NC(CCOc1ccc(-c2ccccc2)cc1)c1cccnc1.
What is the InChIKey of 3-(4-phenylphenoxy)-1-pyridin-3-ylpropan-1-amine?
The InChIKey is IIAJZQJQOJGLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c21-20(18-7-4-13-22-15-18)12-14-23-19-10-8-17(9-11-19)16-5-2-1-3-6-16/h1-11,13,15,20H,12,14,21H2.
What are the key properties of 3-(4-phenylphenoxy)-1-pyridin-3-ylpropan-1-amine?
3-(4-phenylphenoxy)-1-pyridin-3-ylpropan-1-amine has a molecular weight of 304.39 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenoxy)-1-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 67809514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).