1-[5-[2-(4-bromophenoxy)ethoxy]-2-pyridinyl]propan-2-amine

C16H19BrN2O2 — CID 79790646

IUPAC1-[5-[2-(4-bromophenoxy)ethoxy]-2-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCCOc2ccc(Br)cc2)cn1
InChIInChI=1S/C16H19BrN2O2/c1-12(18)10-14-4-7-16(11-19-14)21-9-8-20-15-5-2-13(17)3-6-15/h2-7,11-12H,8-10,18H2,1H3
InChIKeyWZCNAPUQXBFZOT-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.19
Rot. Bonds7

About 1-[5-[2-(4-bromophenoxy)ethoxy]-2-pyridinyl]propan-2-amine

1-[5-[2-(4-bromophenoxy)ethoxy]-2-pyridinyl]propan-2-amine (PubChem CID 79790646) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-[5-[2-(4-bromophenoxy)ethoxy]-2-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-[2-(4-bromophenoxy)ethoxy]-2-pyridinyl]propan-2-amine
PubChem CID79790646
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name1-[5-[2-(4-bromophenoxy)ethoxy]-2-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCCOc2ccc(Br)cc2)cn1
InChIInChI=1S/C16H19BrN2O2/c1-12(18)10-14-4-7-16(11-19-14)21-9-8-20-15-5-2-13(17)3-6-15/h2-7,11-12H,8-10,18H2,1H3
InChIKeyWZCNAPUQXBFZOT-UHFFFAOYSA-N
XLogP3.19
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(2-fluoroethoxy)-2-pyridinyl]propan-2-amine
CID 80694475
1-(5-pentoxy-2-pyridinyl)propan-2-amine
CID 79799904
1-(5-hexoxy-2-pyridinyl)propan-2-amine
CID 79800440
1-(5-decoxy-2-pyridinyl)propan-2-amine
CID 79790628
1-(5-prop-2-enoxy-2-pyridinyl)propan-2-amine
CID 79795581
1-[5-(2-pyridin-2-ylethoxy)-2-pyridinyl]propan-2-amine
CID 79799428
1-(5-prop-2-ynoxy-2-pyridinyl)propan-2-amine
CID 79799433
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]acetamide
CID 79800080
1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine
CID 79799523
1-[5-(2-tert-butylsulfonylethoxy)-2-pyridinyl]propan-2-amine
CID 106728424
1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine
CID 79799813
1-[5-[2-(1-methylimidazol-2-yl)ethoxy]-2-pyridinyl]propan-2-amine
CID 114530931

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(4-bromophenoxy)ethoxy]-2-pyridinyl]propan-2-amine?
The IUPAC name of 1-[5-[2-(4-bromophenoxy)ethoxy]-2-pyridinyl]propan-2-amine (CID 79790646) is 1-[5-[2-(4-bromophenoxy)ethoxy]-2-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[5-[2-(4-bromophenoxy)ethoxy]-2-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[5-[2-(4-bromophenoxy)ethoxy]-2-pyridinyl]propan-2-amine is CC(N)Cc1ccc(OCCOc2ccc(Br)cc2)cn1.
What is the InChIKey of 1-[5-[2-(4-bromophenoxy)ethoxy]-2-pyridinyl]propan-2-amine?
The InChIKey is WZCNAPUQXBFZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-12(18)10-14-4-7-16(11-19-14)21-9-8-20-15-5-2-13(17)3-6-15/h2-7,11-12H,8-10,18H2,1H3.
What are the key properties of 1-[5-[2-(4-bromophenoxy)ethoxy]-2-pyridinyl]propan-2-amine?
1-[5-[2-(4-bromophenoxy)ethoxy]-2-pyridinyl]propan-2-amine has a molecular weight of 351.24 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(4-bromophenoxy)ethoxy]-2-pyridinyl]propan-2-amine is sourced from PubChem (CID 79790646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).