N-[(5-bromothiophen-3-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine

C14H14BrF2NS — CID 54864200

IUPACN-[(5-bromothiophen-3-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine
SMILESCC(Cc1c(F)cccc1F)NCc1csc(Br)c1
InChIInChI=1S/C14H14BrF2NS/c1-9(18-7-10-6-14(15)19-8-10)5-11-12(16)3-2-4-13(11)17/h2-4,6,8-9,18H,5,7H2,1H3
InChIKeyFENCUTCGURPQHM-UHFFFAOYSA-N
MW346.24 g/mol
LogP4.51
Rot. Bonds5

About N-[(5-bromothiophen-3-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine

N-[(5-bromothiophen-3-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine (PubChem CID 54864200) has the molecular formula C14H14BrF2NS and a molecular weight of 346.24 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine
PubChem CID54864200
Molecular FormulaC14H14BrF2NS
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine
SMILESCC(Cc1c(F)cccc1F)NCc1csc(Br)c1
InChIInChI=1S/C14H14BrF2NS/c1-9(18-7-10-6-14(15)19-8-10)5-11-12(16)3-2-4-13(11)17/h2-4,6,8-9,18H,5,7H2,1H3
InChIKeyFENCUTCGURPQHM-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-1-phenylpropan-2-amine
CID 63010723
N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,6-difluorophenyl)propan-2-amine
CID 81432181
3-[[[(2S)-1-(2,6-difluorophenyl)propan-2-yl]amino]methyl]phenol
CID 93362092
N-[(4-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine
CID 79420256
4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol
CID 60943467
N-[(5-bromothiophen-3-yl)methyl]propan-2-amine
CID 43431930
1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine
CID 63000728
3-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]benzonitrile
CID 60942834
1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 54864314
N-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115639975
1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine
CID 60760516
4-[3-[(5-bromothiophen-3-yl)methylamino]butyl]phenol
CID 43746723

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine (CID 54864200) is N-[(5-bromothiophen-3-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine is CC(Cc1c(F)cccc1F)NCc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine?
The InChIKey is FENCUTCGURPQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2NS/c1-9(18-7-10-6-14(15)19-8-10)5-11-12(16)3-2-4-13(11)17/h2-4,6,8-9,18H,5,7H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine?
N-[(5-bromothiophen-3-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine has a molecular weight of 346.24 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine is sourced from PubChem (CID 54864200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).