1-[(4-bromophenyl)methoxy]-1-pyridin-4-ylpropan-2-amine

C15H17BrN2O — CID 82828548

IUPAC1-[(4-bromophenyl)methoxy]-1-pyridin-4-ylpropan-2-amine
SMILESCC(N)C(OCc1ccc(Br)cc1)c1ccncc1
InChIInChI=1S/C15H17BrN2O/c1-11(17)15(13-6-8-18-9-7-13)19-10-12-2-4-14(16)5-3-12/h2-9,11,15H,10,17H2,1H3
InChIKeyVHVCKEYRZDHHQY-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.45
Rot. Bonds5

About 1-[(4-bromophenyl)methoxy]-1-pyridin-4-ylpropan-2-amine

1-[(4-bromophenyl)methoxy]-1-pyridin-4-ylpropan-2-amine (PubChem CID 82828548) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methoxy]-1-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methoxy]-1-pyridin-4-ylpropan-2-amine
PubChem CID82828548
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name1-[(4-bromophenyl)methoxy]-1-pyridin-4-ylpropan-2-amine
SMILESCC(N)C(OCc1ccc(Br)cc1)c1ccncc1
InChIInChI=1S/C15H17BrN2O/c1-11(17)15(13-6-8-18-9-7-13)19-10-12-2-4-14(16)5-3-12/h2-9,11,15H,10,17H2,1H3
InChIKeyVHVCKEYRZDHHQY-UHFFFAOYSA-N
XLogP3.45
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-1-[(3-bromophenyl)methoxy]propan-2-amine
CID 82828472
1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine
CID 82828300
1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine
CID 103283082
1-(5-bromo-2-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine
CID 114671825
(4-bromophenyl)methyl 2-aminopropanoate
CID 79016894
4-(propan-2-yloxymethyl)pyridine
CID 14442204
1-(4-bromophenyl)-1-heptoxypropan-2-amine
CID 63460089
1-(3-bromo-5-fluorophenoxy)-1-pyridin-4-ylpropan-2-amine
CID 81321859
1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine
CID 62382192
(1S,2S)-2-[(4-bromophenyl)methoxy]-1,2-diphenylethanol
CID 15981856
1-[3-(methoxymethyl)phenoxy]-1-pyridin-4-ylpropan-2-amine
CID 63985747
methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate
CID 103338168

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methoxy]-1-pyridin-4-ylpropan-2-amine?
The IUPAC name of 1-[(4-bromophenyl)methoxy]-1-pyridin-4-ylpropan-2-amine (CID 82828548) is 1-[(4-bromophenyl)methoxy]-1-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for 1-[(4-bromophenyl)methoxy]-1-pyridin-4-ylpropan-2-amine?
The canonical SMILES for 1-[(4-bromophenyl)methoxy]-1-pyridin-4-ylpropan-2-amine is CC(N)C(OCc1ccc(Br)cc1)c1ccncc1.
What is the InChIKey of 1-[(4-bromophenyl)methoxy]-1-pyridin-4-ylpropan-2-amine?
The InChIKey is VHVCKEYRZDHHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-11(17)15(13-6-8-18-9-7-13)19-10-12-2-4-14(16)5-3-12/h2-9,11,15H,10,17H2,1H3.
What are the key properties of 1-[(4-bromophenyl)methoxy]-1-pyridin-4-ylpropan-2-amine?
1-[(4-bromophenyl)methoxy]-1-pyridin-4-ylpropan-2-amine has a molecular weight of 321.22 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methoxy]-1-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 82828548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).