N-[[3-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]ethanamine

C15H22BrNOS — CID 104509700

IUPACN-[[3-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(Cc2cc(Br)cs2)CCOC1C1CC1
InChIInChI=1S/C15H22BrNOS/c1-2-17-10-15(8-13-7-12(16)9-19-13)5-6-18-14(15)11-3-4-11/h7,9,11,14,17H,2-6,8,10H2,1H3
InChIKeyJELFVUVAGQLDNL-UHFFFAOYSA-N
MW344.32 g/mol
LogP3.85
Rot. Bonds6

About N-[[3-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]ethanamine

N-[[3-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]ethanamine (PubChem CID 104509700) has the molecular formula C15H22BrNOS and a molecular weight of 344.32 g/mol. Its IUPAC name is N-[[3-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]ethanamine
PubChem CID104509700
Molecular FormulaC15H22BrNOS
Molecular Weight344.32 g/mol
Exact Mass343.06
IUPAC NameN-[[3-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(Cc2cc(Br)cs2)CCOC1C1CC1
InChIInChI=1S/C15H22BrNOS/c1-2-17-10-15(8-13-7-12(16)9-19-13)5-6-18-14(15)11-3-4-11/h7,9,11,14,17H,2-6,8,10H2,1H3
InChIKeyJELFVUVAGQLDNL-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]ethanamine (CID 104509700) is N-[[3-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]ethanamine is CCNCC1(Cc2cc(Br)cs2)CCOC1C1CC1.
What is the InChIKey of N-[[3-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]ethanamine?
The InChIKey is JELFVUVAGQLDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNOS/c1-2-17-10-15(8-13-7-12(16)9-19-13)5-6-18-14(15)11-3-4-11/h7,9,11,14,17H,2-6,8,10H2,1H3.
What are the key properties of N-[[3-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]ethanamine?
N-[[3-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]ethanamine has a molecular weight of 344.32 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 104509700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).