N-[[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine

C15H17BrFNOS — CID 107687443

IUPACN-[[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCc2cc(Br)cs2)c(F)c1
InChIInChI=1S/C15H17BrFNOS/c1-10(2)18-7-11-3-4-15(14(17)5-11)19-8-13-6-12(16)9-20-13/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyPLKDHSDTQDTPGA-UHFFFAOYSA-N
MW358.28 g/mol
LogP4.73
Rot. Bonds6

About N-[[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine

N-[[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine (PubChem CID 107687443) has the molecular formula C15H17BrFNOS and a molecular weight of 358.28 g/mol. Its IUPAC name is N-[[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine
PubChem CID107687443
Molecular FormulaC15H17BrFNOS
Molecular Weight358.28 g/mol
Exact Mass357.02
IUPAC NameN-[[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCc2cc(Br)cs2)c(F)c1
InChIInChI=1S/C15H17BrFNOS/c1-10(2)18-7-11-3-4-15(14(17)5-11)19-8-13-6-12(16)9-20-13/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyPLKDHSDTQDTPGA-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methyl]propan-2-amine
CID 63501318
N-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]propan-2-amine
CID 107687726
N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine
CID 63486928
N-[[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107687734
N-[[4-[(4-bromothiophen-2-yl)methoxy]-3-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 63486006
3-[[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol
CID 107687781
N-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl]propan-2-amine
CID 103615857
1-[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]ethanone
CID 113237188
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63045368
N-[(4-but-2-ynoxy-3-fluorophenyl)methyl]propan-2-amine
CID 107687869
N-[[4-(3-bromo-5-fluorophenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 81315502
N-[[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62484259

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine (CID 107687443) is N-[[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine is CC(C)NCc1ccc(OCc2cc(Br)cs2)c(F)c1.
What is the InChIKey of N-[[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine?
The InChIKey is PLKDHSDTQDTPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNOS/c1-10(2)18-7-11-3-4-15(14(17)5-11)19-8-13-6-12(16)9-20-13/h3-6,9-10,18H,7-8H2,1-2H3.
What are the key properties of N-[[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine?
N-[[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine has a molecular weight of 358.28 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 107687443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).