1-(3-bromothiophen-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine

C14H22BrNOS — CID 80535906

IUPAC1-(3-bromothiophen-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCCO1)c1sccc1Br
InChIInChI=1S/C14H22BrNOS/c1-2-16-13(14-12(15)8-10-18-14)7-6-11-5-3-4-9-17-11/h8,10-11,13,16H,2-7,9H2,1H3
InChIKeyMFULJZKXNCEBAL-UHFFFAOYSA-N
MW332.31 g/mol
LogP4.51
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine

1-(3-bromothiophen-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine (PubChem CID 80535906) has the molecular formula C14H22BrNOS and a molecular weight of 332.31 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
PubChem CID80535906
Molecular FormulaC14H22BrNOS
Molecular Weight332.31 g/mol
Exact Mass331.06
IUPAC Name1-(3-bromothiophen-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCCO1)c1sccc1Br
InChIInChI=1S/C14H22BrNOS/c1-2-16-13(14-12(15)8-10-18-14)7-6-11-5-3-4-9-17-11/h8,10-11,13,16H,2-7,9H2,1H3
InChIKeyMFULJZKXNCEBAL-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-bromothiophen-2-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314337
1-(3-bromothiophen-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993148
1-(3-bromo-5-methylthiophen-2-yl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65278411
1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 105021741
N-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine
CID 102833759
N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine
CID 115827795
1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 107985085
[1-(3-ethylthiophen-2-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314235
[1-(2-methylthiophen-3-yl)-3-(oxan-2-yl)propyl]hydrazine
CID 102843428
3-cyclohexyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 63503466
1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65156023
1-(3-bromothiophen-2-yl)-N-ethylundecan-1-amine
CID 115845930

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine (CID 80535906) is 1-(3-bromothiophen-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine is CCNC(CCC1CCCCO1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine?
The InChIKey is MFULJZKXNCEBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNOS/c1-2-16-13(14-12(15)8-10-18-14)7-6-11-5-3-4-9-17-11/h8,10-11,13,16H,2-7,9H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine?
1-(3-bromothiophen-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine has a molecular weight of 332.31 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 80535906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).