N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine

C13H16BrNOS — CID 43431981

IUPACN-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)NCc1csc(Br)c1
InChIInChI=1S/C13H16BrNOS/c1-10(4-5-12-3-2-6-16-12)15-8-11-7-13(14)17-9-11/h2-3,6-7,9-10,15H,4-5,8H2,1H3
InChIKeyHBTPUDKMWDNMLZ-UHFFFAOYSA-N
MW314.25 g/mol
LogP4.21
Rot. Bonds6

About N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine

N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine (PubChem CID 43431981) has the molecular formula C13H16BrNOS and a molecular weight of 314.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine
PubChem CID43431981
Molecular FormulaC13H16BrNOS
Molecular Weight314.25 g/mol
Exact Mass313.01
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)NCc1csc(Br)c1
InChIInChI=1S/C13H16BrNOS/c1-10(4-5-12-3-2-6-16-12)15-8-11-7-13(14)17-9-11/h2-3,6-7,9-10,15H,4-5,8H2,1H3
InChIKeyHBTPUDKMWDNMLZ-UHFFFAOYSA-N
XLogP4.21
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 43182405
N-[(5-bromo-3-pyridinyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 104796828
N-[(4-bromo-3-fluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 81002706
N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
CID 115526047
4-[3-[(5-bromothiophen-3-yl)methylamino]butyl]phenol
CID 43746723
N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 55245951
4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 43769805
N-[(5-bromothiophen-3-yl)methyl]-1-phenylpropan-2-amine
CID 63010723
N-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115639975
2-[4-[[4-(furan-2-yl)butan-2-ylamino]methyl]phenyl]acetic acid
CID 103246843
4-[[4-(furan-2-yl)butan-2-ylamino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103202626
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
CID 43182373

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine (CID 43431981) is N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine is CC(CCc1ccco1)NCc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine?
The InChIKey is HBTPUDKMWDNMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNOS/c1-10(4-5-12-3-2-6-16-12)15-8-11-7-13(14)17-9-11/h2-3,6-7,9-10,15H,4-5,8H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine?
N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine has a molecular weight of 314.25 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 43431981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).