N-[[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine

C14H17BrN2OS — CID 107558967

IUPACN-[[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COc2cncc(Br)c2)s1
InChIInChI=1S/C14H17BrN2OS/c1-2-5-16-9-13-3-4-14(19-13)10-18-12-6-11(15)7-17-8-12/h3-4,6-8,16H,2,5,9-10H2,1H3
InChIKeyFCGBIENRFSTGNT-UHFFFAOYSA-N
MW341.27 g/mol
LogP3.98
Rot. Bonds7

About N-[[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine

N-[[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine (PubChem CID 107558967) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is N-[[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
PubChem CID107558967
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC NameN-[[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COc2cncc(Br)c2)s1
InChIInChI=1S/C14H17BrN2OS/c1-2-5-16-9-13-3-4-14(19-13)10-18-12-6-11(15)7-17-8-12/h3-4,6-8,16H,2,5,9-10H2,1H3
InChIKeyFCGBIENRFSTGNT-UHFFFAOYSA-N
XLogP3.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.98
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-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]-N-methylmethanamine
CID 107558966
[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine
CID 107558968
N-[[5-[(4-bromo-3-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107559225
N-[[5-(methoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558011
N-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558683
N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558300
N-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 104796391
N-[[5-[(5-bromo-3-pyridinyl)oxy]pyrazin-2-yl]methyl]propan-1-amine
CID 107382196
N-[[5-methyl-4-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80728873
N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558267
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-1-amine
CID 114857412

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine (CID 107558967) is N-[[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine is CCCNCc1ccc(COc2cncc(Br)c2)s1.
What is the InChIKey of N-[[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is FCGBIENRFSTGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-2-5-16-9-13-3-4-14(19-13)10-18-12-6-11(15)7-17-8-12/h3-4,6-8,16H,2,5,9-10H2,1H3.
What are the key properties of N-[[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine?
N-[[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 341.27 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107558967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).