N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine

C15H16BrF2NOS — CID 107559425

IUPACN-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(COc2cc(Br)cc(F)c2F)s1
InChIInChI=1S/C15H16BrF2NOS/c1-9(2)19-7-11-3-4-12(21-11)8-20-14-6-10(16)5-13(17)15(14)18/h3-6,9,19H,7-8H2,1-2H3
InChIKeyLZNHJENQMYBFDQ-UHFFFAOYSA-N
MW376.27 g/mol
LogP4.87
Rot. Bonds6

About N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine

N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107559425) has the molecular formula C15H16BrF2NOS and a molecular weight of 376.27 g/mol. Its IUPAC name is N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID107559425
Molecular FormulaC15H16BrF2NOS
Molecular Weight376.27 g/mol
Exact Mass375.01
IUPAC NameN-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(COc2cc(Br)cc(F)c2F)s1
InChIInChI=1S/C15H16BrF2NOS/c1-9(2)19-7-11-3-4-12(21-11)8-20-14-6-10(16)5-13(17)15(14)18/h3-6,9,19H,7-8H2,1-2H3
InChIKeyLZNHJENQMYBFDQ-UHFFFAOYSA-N
XLogP4.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-[(2-bromo-4-fluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558390
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558694
N-[[5-[(2-bromo-4-methoxyphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107559265
N-[[5-[(3-bromophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558607
N-[[5-[(4-fluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558537
N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558732
1-[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107559151
N-[[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine
CID 107687443
N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-1-(furan-2-yl)ethanamine
CID 107101788
N-[[3-[(5-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 114676916
N-[[5-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557957
N-[[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62484259

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine (CID 107559425) is N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(COc2cc(Br)cc(F)c2F)s1.
What is the InChIKey of N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is LZNHJENQMYBFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF2NOS/c1-9(2)19-7-11-3-4-12(21-11)8-20-14-6-10(16)5-13(17)15(14)18/h3-6,9,19H,7-8H2,1-2H3.
What are the key properties of N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine?
N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 376.27 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107559425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).