N-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine

C14H18BrNOS — CID 113455397

IUPACN-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)cs1)c1occc1C
InChIInChI=1S/C14H18BrNOS/c1-3-5-16-13(14-10(2)4-6-17-14)8-12-7-11(15)9-18-12/h4,6-7,9,13,16H,3,5,8H2,1-2H3
InChIKeyKWKHJRNKXVCVOM-UHFFFAOYSA-N
MW328.28 g/mol
LogP4.70
Rot. Bonds6

About N-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine

N-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine (PubChem CID 113455397) has the molecular formula C14H18BrNOS and a molecular weight of 328.28 g/mol. Its IUPAC name is N-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
PubChem CID113455397
Molecular FormulaC14H18BrNOS
Molecular Weight328.28 g/mol
Exact Mass327.03
IUPAC NameN-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)cs1)c1occc1C
InChIInChI=1S/C14H18BrNOS/c1-3-5-16-13(14-10(2)4-6-17-14)8-12-7-11(15)9-18-12/h4,6-7,9,13,16H,3,5,8H2,1-2H3
InChIKeyKWKHJRNKXVCVOM-UHFFFAOYSA-N
XLogP4.70
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromothiophen-2-yl)-1-(2-chlorofuran-3-yl)ethyl]propan-1-amine
CID 106691868
N-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805696
N-[1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 107984903
N-[2-(4-bromothiophen-2-yl)-1-(5-chloro-2-methylphenyl)ethyl]propan-1-amine
CID 115847603
1-(3-methylfuran-2-yl)-N-propylpropan-1-amine
CID 104805698
N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104806069
N-[2-(3-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805826
N-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805965
N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115847708
N-[2-(4-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine
CID 115847777
N-[1-(3-methylfuran-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 62387853
N-[2-(4-bromothiophen-2-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62606210

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine (CID 113455397) is N-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(Br)cs1)c1occc1C.
What is the InChIKey of N-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
The InChIKey is KWKHJRNKXVCVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNOS/c1-3-5-16-13(14-10(2)4-6-17-14)8-12-7-11(15)9-18-12/h4,6-7,9,13,16H,3,5,8H2,1-2H3.
What are the key properties of N-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine?
N-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine has a molecular weight of 328.28 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 113455397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).