1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]butan-2-amine

C15H16BrF2NOS — CID 79882803

IUPAC1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)c(OCc2cc(Br)cs2)c(F)c1
InChIInChI=1S/C15H16BrF2NOS/c1-2-11(19)3-9-4-13(17)15(14(18)5-9)20-7-12-6-10(16)8-21-12/h4-6,8,11H,2-3,7,19H2,1H3
InChIKeyHPRIKYJUBIEUBQ-UHFFFAOYSA-N
MW376.27 g/mol
LogP4.65
Rot. Bonds6

About 1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]butan-2-amine

1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]butan-2-amine (PubChem CID 79882803) has the molecular formula C15H16BrF2NOS and a molecular weight of 376.27 g/mol. Its IUPAC name is 1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]butan-2-amine
PubChem CID79882803
Molecular FormulaC15H16BrF2NOS
Molecular Weight376.27 g/mol
Exact Mass375.01
IUPAC Name1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)c(OCc2cc(Br)cs2)c(F)c1
InChIInChI=1S/C15H16BrF2NOS/c1-2-11(19)3-9-4-13(17)15(14(18)5-9)20-7-12-6-10(16)8-21-12/h4-6,8,11H,2-3,7,19H2,1H3
InChIKeyHPRIKYJUBIEUBQ-UHFFFAOYSA-N
XLogP4.65
TPSA35.25 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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]butan-2-amine with MolForge

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Related Compounds

2-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79888610
4-bromo-2-[[4-(chloromethyl)-2,6-difluorophenoxy]methyl]thiophene
CID 79888273
1-[3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 63422163
1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79891772
1-[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine
CID 79888395
1-[3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]butan-2-amine
CID 79882774
1-[3,5-difluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 79882796
1-[3,5-difluoro-4-(2-methoxyethoxy)phenyl]butan-2-amine
CID 79888080
1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine
CID 79887538
1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine
CID 79887772
1-[4-(3-chloroprop-2-enoxy)-3,5-difluorophenyl]butan-2-amine
CID 79887693
1-(4-but-2-ynoxy-3,5-difluorophenyl)butan-2-amine
CID 79887773

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]butan-2-amine?
The IUPAC name of 1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]butan-2-amine (CID 79882803) is 1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]butan-2-amine.
What is the SMILES notation for 1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]butan-2-amine?
The canonical SMILES for 1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]butan-2-amine is CCC(N)Cc1cc(F)c(OCc2cc(Br)cs2)c(F)c1.
What is the InChIKey of 1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]butan-2-amine?
The InChIKey is HPRIKYJUBIEUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF2NOS/c1-2-11(19)3-9-4-13(17)15(14(18)5-9)20-7-12-6-10(16)8-21-12/h4-6,8,11H,2-3,7,19H2,1H3.
What are the key properties of 1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]butan-2-amine?
1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]butan-2-amine has a molecular weight of 376.27 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]butan-2-amine is sourced from PubChem (CID 79882803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).