N-[(2-bromofuran-3-yl)-thiophen-3-ylmethyl]propan-1-amine

C12H14BrNOS — CID 106857785

IUPACN-[(2-bromofuran-3-yl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1ccoc1Br
InChIInChI=1S/C12H14BrNOS/c1-2-5-14-11(9-4-7-16-8-9)10-3-6-15-12(10)13/h3-4,6-8,11,14H,2,5H2,1H3
InChIKeyRCLFSORKNRCYPC-UHFFFAOYSA-N
MW300.22 g/mol
LogP4.19
Rot. Bonds5

About N-[(2-bromofuran-3-yl)-thiophen-3-ylmethyl]propan-1-amine

N-[(2-bromofuran-3-yl)-thiophen-3-ylmethyl]propan-1-amine (PubChem CID 106857785) has the molecular formula C12H14BrNOS and a molecular weight of 300.22 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)-thiophen-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)-thiophen-3-ylmethyl]propan-1-amine
PubChem CID106857785
Molecular FormulaC12H14BrNOS
Molecular Weight300.22 g/mol
Exact Mass299.00
IUPAC NameN-[(2-bromofuran-3-yl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1ccoc1Br
InChIInChI=1S/C12H14BrNOS/c1-2-5-14-11(9-4-7-16-8-9)10-3-6-15-12(10)13/h3-4,6-8,11,14H,2,5H2,1H3
InChIKeyRCLFSORKNRCYPC-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromofuran-3-yl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 106851661
N-[(2-bromofuran-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 106851671
N-[(2-bromofuran-3-yl)-(3,4-diethylphenyl)methyl]propan-1-amine
CID 106851925
N-[(2-bromofuran-3-yl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 106858239
N-[(2-bromofuran-3-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130022
N-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43493887
N-[(2-bromofuran-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 106851805
N-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 106851675
N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 106857656
N-[(2-bromofuran-3-yl)-(4-chloro-3-methoxyphenyl)methyl]propan-1-amine
CID 106858080
N-[(5-ethylfuran-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 55061752
N-[(5-ethylthiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 43494287

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)-thiophen-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2-bromofuran-3-yl)-thiophen-3-ylmethyl]propan-1-amine (CID 106857785) is N-[(2-bromofuran-3-yl)-thiophen-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)-thiophen-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-bromofuran-3-yl)-thiophen-3-ylmethyl]propan-1-amine is CCCNC(c1ccsc1)c1ccoc1Br.
What is the InChIKey of N-[(2-bromofuran-3-yl)-thiophen-3-ylmethyl]propan-1-amine?
The InChIKey is RCLFSORKNRCYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNOS/c1-2-5-14-11(9-4-7-16-8-9)10-3-6-15-12(10)13/h3-4,6-8,11,14H,2,5H2,1H3.
What are the key properties of N-[(2-bromofuran-3-yl)-thiophen-3-ylmethyl]propan-1-amine?
N-[(2-bromofuran-3-yl)-thiophen-3-ylmethyl]propan-1-amine has a molecular weight of 300.22 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromofuran-3-yl)-thiophen-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 106857785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).