N-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine

C12H14BrNOS — CID 43432954

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine
SMILESCC(Cc1ccco1)NCc1cc(Br)cs1
InChIInChI=1S/C12H14BrNOS/c1-9(5-11-3-2-4-15-11)14-7-12-6-10(13)8-16-12/h2-4,6,8-9,14H,5,7H2,1H3
InChIKeyMIACYKPLVIBDTG-UHFFFAOYSA-N
MW300.22 g/mol
LogP3.82
Rot. Bonds5

About N-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine

N-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine (PubChem CID 43432954) has the molecular formula C12H14BrNOS and a molecular weight of 300.22 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine
PubChem CID43432954
Molecular FormulaC12H14BrNOS
Molecular Weight300.22 g/mol
Exact Mass299.00
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine
SMILESCC(Cc1ccco1)NCc1cc(Br)cs1
InChIInChI=1S/C12H14BrNOS/c1-9(5-11-3-2-4-15-11)14-7-12-6-10(13)8-16-12/h2-4,6,8-9,14H,5,7H2,1H3
InChIKeyMIACYKPLVIBDTG-UHFFFAOYSA-N
XLogP3.82
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43432946
N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010902
N-[(5-bromo-3-pyridinyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 113454136
N-[(3-bromo-5-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 79710171
N-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 54920089
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-(furan-2-yl)propan-2-amine
CID 66379865
N-[(4-bromo-2-nitrophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 114381134
(2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine
CID 28833188
4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol
CID 43432836
N-[(4-bromothiophen-2-yl)methyl]hex-5-en-2-amine
CID 75525502
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
(2S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833486

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine (CID 43432954) is N-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine is CC(Cc1ccco1)NCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine?
The InChIKey is MIACYKPLVIBDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNOS/c1-9(5-11-3-2-4-15-11)14-7-12-6-10(13)8-16-12/h2-4,6,8-9,14H,5,7H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine?
N-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine has a molecular weight of 300.22 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine is sourced from PubChem (CID 43432954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).