3-[[5-bromo-3-(1-phenylethoxy)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

C18H23BrN2O2 — CID 146212259

IUPAC3-[[5-bromo-3-(1-phenylethoxy)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCC(Oc1cc(Br)cnc1OCCCN(C)C)c1ccccc1
InChIInChI=1S/C18H23BrN2O2/c1-14(15-8-5-4-6-9-15)23-17-12-16(19)13-20-18(17)22-11-7-10-21(2)3/h4-6,8-9,12-14H,7,10-11H2,1-3H3
InChIKeyAFBAVMLIFQPVJE-UHFFFAOYSA-N
MW379.30 g/mol
LogP4.31
Rot. Bonds8

About 3-[[5-bromo-3-(1-phenylethoxy)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine

3-[[5-bromo-3-(1-phenylethoxy)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (PubChem CID 146212259) has the molecular formula C18H23BrN2O2 and a molecular weight of 379.30 g/mol. Its IUPAC name is 3-[[5-bromo-3-(1-phenylethoxy)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[[5-bromo-3-(1-phenylethoxy)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
PubChem CID146212259
Molecular FormulaC18H23BrN2O2
Molecular Weight379.30 g/mol
Exact Mass378.09
IUPAC Name3-[[5-bromo-3-(1-phenylethoxy)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
SMILESCC(Oc1cc(Br)cnc1OCCCN(C)C)c1ccccc1
InChIInChI=1S/C18H23BrN2O2/c1-14(15-8-5-4-6-9-15)23-17-12-16(19)13-20-18(17)22-11-7-10-21(2)3/h4-6,8-9,12-14H,7,10-11H2,1-3H3
InChIKeyAFBAVMLIFQPVJE-UHFFFAOYSA-N
XLogP4.31
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[5-bromo-3-(1-phenylethoxy)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(1-phenylethoxy)pyrimidine
CID 63867238
5-bromo-2-[3-(dimethylamino)propoxy]-N-pyridin-3-ylsulfanylpyridin-3-amine
CID 174142636
4-bromo-2-(1-phenylethoxy)pyridine
CID 170431674
N-[5-bromo-2-[3-(dimethylamino)propoxy]-3-pyridinyl]ethanesulfonamide
CID 146212638
5-bromo-3-(1-phenylpropoxy)pyridin-2-amine
CID 164859806
3-[(3-bromo-5-chloro-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine
CID 114837675
[5-bromo-3-(1-pyridin-3-ylethoxy)-2-pyridinyl]-methoxyazanium
CID 164859234
3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine
CID 114525429
N,N-dimethyl-3-[(5-nitro-3-phenyl-2-pyridinyl)oxy]propan-1-amine
CID 146212247
1-[4-bromo-2-(1-phenylethoxy)phenyl]ethanol
CID 102948374
N-[2-[(5-bromo-3-chloro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 103583744
1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol
CID 112508038

Frequently Asked Questions

What is the IUPAC name of 3-[[5-bromo-3-(1-phenylethoxy)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[[5-bromo-3-(1-phenylethoxy)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine (CID 146212259) is 3-[[5-bromo-3-(1-phenylethoxy)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[[5-bromo-3-(1-phenylethoxy)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[[5-bromo-3-(1-phenylethoxy)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is CC(Oc1cc(Br)cnc1OCCCN(C)C)c1ccccc1.
What is the InChIKey of 3-[[5-bromo-3-(1-phenylethoxy)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is AFBAVMLIFQPVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O2/c1-14(15-8-5-4-6-9-15)23-17-12-16(19)13-20-18(17)22-11-7-10-21(2)3/h4-6,8-9,12-14H,7,10-11H2,1-3H3.
What are the key properties of 3-[[5-bromo-3-(1-phenylethoxy)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine?
3-[[5-bromo-3-(1-phenylethoxy)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 379.30 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-bromo-3-(1-phenylethoxy)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 146212259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).