N-[[5-[(4-bromo-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine

C16H18BrFN2O — CID 79781312

IUPACN-[[5-[(4-bromo-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCc2ccc(Br)cc2F)cn1
InChIInChI=1S/C16H18BrFN2O/c1-11(2)19-8-14-5-6-15(9-20-14)21-10-12-3-4-13(17)7-16(12)18/h3-7,9,11,19H,8,10H2,1-2H3
InChIKeyUOZRXEYEZKUZPO-UHFFFAOYSA-N
MW353.24 g/mol
LogP4.06
Rot. Bonds6

About N-[[5-[(4-bromo-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine

N-[[5-[(4-bromo-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine (PubChem CID 79781312) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is N-[[5-[(4-bromo-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-bromo-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
PubChem CID79781312
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC NameN-[[5-[(4-bromo-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCc2ccc(Br)cc2F)cn1
InChIInChI=1S/C16H18BrFN2O/c1-11(2)19-8-14-5-6-15(9-20-14)21-10-12-3-4-13(17)7-16(12)18/h3-7,9,11,19H,8,10H2,1-2H3
InChIKeyUOZRXEYEZKUZPO-UHFFFAOYSA-N
XLogP4.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(4-bromo-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

5-[(4-bromo-2-fluorophenyl)methoxy]-2-fluoropyridine
CID 115282947
N-[[5-[(2,5-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79781870
N-[[5-[(3-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 103037879
N-[[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 107879639
N-[[2-bromo-5-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
CID 104796427
N-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782331
4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene
CID 60627290
N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79782732
4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 55027056
N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781711
1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene
CID 83134047
N-[[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 114848226

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-bromo-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(4-bromo-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine (CID 79781312) is N-[[5-[(4-bromo-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(4-bromo-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(4-bromo-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccc(OCc2ccc(Br)cc2F)cn1.
What is the InChIKey of N-[[5-[(4-bromo-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is UOZRXEYEZKUZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-11(2)19-8-14-5-6-15(9-20-14)21-10-12-3-4-13(17)7-16(12)18/h3-7,9,11,19H,8,10H2,1-2H3.
What are the key properties of N-[[5-[(4-bromo-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine?
N-[[5-[(4-bromo-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 353.24 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-bromo-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 79781312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).