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

C14H15BrN2O — CID 54971173

IUPAC3-(4-bromophenoxy)-1-pyridin-3-ylpropan-1-amine
SMILESNC(CCOc1ccc(Br)cc1)c1cccnc1
InChIInChI=1S/C14H15BrN2O/c15-12-3-5-13(6-4-12)18-9-7-14(16)11-2-1-8-17-10-11/h1-6,8,10,14H,7,9,16H2
InChIKeyUTVQNHOBQWHLJD-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.31
Rot. Bonds5

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

3-(4-bromophenoxy)-1-pyridin-3-ylpropan-1-amine (PubChem CID 54971173) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-1-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenoxy)-1-pyridin-3-ylpropan-1-amine
PubChem CID54971173
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name3-(4-bromophenoxy)-1-pyridin-3-ylpropan-1-amine
SMILESNC(CCOc1ccc(Br)cc1)c1cccnc1
InChIInChI=1S/C14H15BrN2O/c15-12-3-5-13(6-4-12)18-9-7-14(16)11-2-1-8-17-10-11/h1-6,8,10,14H,7,9,16H2
InChIKeyUTVQNHOBQWHLJD-UHFFFAOYSA-N
XLogP3.31
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-phenylphenoxy)-1-pyridin-3-ylpropan-1-amine
CID 67809514
3-(4-bromophenoxy)-1-pyrazin-2-ylpropan-1-amine
CID 54971621
1-pyridin-3-ylpropane-1,3-diamine
CID 116932848
(1R)-3-fluoro-1-pyridin-3-ylpropan-1-amine;hydrochloride
CID 171201508
(R)-(4-bromophenyl)-pyridin-3-ylmethanamine
CID 42137795
4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine
CID 21156680
(4R)-4-amino-4-pyridin-3-ylbutan-1-ol
CID 15886729
4-amino-4-pyridin-3-ylbutan-1-ol
CID 85412290
3-(4-bromophenoxy)-1-thiophen-2-ylpropan-1-amine
CID 54971662
4-methoxy-1-pyridin-3-ylpentan-1-amine
CID 105098535
1-(4-bromophenyl)-4-pyridin-3-ylbutan-1-amine
CID 14750815
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-1-pyridin-3-ylpropan-1-amine?
The IUPAC name of 3-(4-bromophenoxy)-1-pyridin-3-ylpropan-1-amine (CID 54971173) is 3-(4-bromophenoxy)-1-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 3-(4-bromophenoxy)-1-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 3-(4-bromophenoxy)-1-pyridin-3-ylpropan-1-amine is NC(CCOc1ccc(Br)cc1)c1cccnc1.
What is the InChIKey of 3-(4-bromophenoxy)-1-pyridin-3-ylpropan-1-amine?
The InChIKey is UTVQNHOBQWHLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c15-12-3-5-13(6-4-12)18-9-7-14(16)11-2-1-8-17-10-11/h1-6,8,10,14H,7,9,16H2.
What are the key properties of 3-(4-bromophenoxy)-1-pyridin-3-ylpropan-1-amine?
3-(4-bromophenoxy)-1-pyridin-3-ylpropan-1-amine has a molecular weight of 307.19 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-1-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 54971173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).