1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-amine

C12H17Br2NOS — CID 63951729

IUPAC1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-amine
SMILESNC(CCC1CCCCO1)c1cc(Br)sc1Br
InChIInChI=1S/C12H17Br2NOS/c13-11-7-9(12(14)17-11)10(15)5-4-8-3-1-2-6-16-8/h7-8,10H,1-6,15H2
InChIKeyAFMWYTZGDHKPDY-UHFFFAOYSA-N
MW383.15 g/mol
LogP4.62
Rot. Bonds4

About 1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-amine

1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-amine (PubChem CID 63951729) has the molecular formula C12H17Br2NOS and a molecular weight of 383.15 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-amine
PubChem CID63951729
Molecular FormulaC12H17Br2NOS
Molecular Weight383.15 g/mol
Exact Mass380.94
IUPAC Name1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-amine
SMILESNC(CCC1CCCCO1)c1cc(Br)sc1Br
InChIInChI=1S/C12H17Br2NOS/c13-11-7-9(12(14)17-11)10(15)5-4-8-3-1-2-6-16-8/h7-8,10H,1-6,15H2
InChIKeyAFMWYTZGDHKPDY-UHFFFAOYSA-N
XLogP4.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.15
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-ol
CID 63952380
3-cyclopentyl-1-(2,5-dibromothiophen-3-yl)propan-1-amine
CID 43167433
3-(oxan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990469
1-(5-bromo-4-methylthiophen-2-yl)-3-(oxan-2-yl)propan-1-amine
CID 79991199
1-(5-bromothiophen-2-yl)-3-(oxan-2-yl)propan-1-amine
CID 63951738
1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine
CID 63953738
1-(2-bromo-4,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63953532
3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 63952126
1-(4-bromonaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine
CID 79589897
1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63953943
1-(5-bromo-4-fluoro-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 103394442
3-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 65155041

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-amine (CID 63951729) is 1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-amine is NC(CCC1CCCCO1)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-amine?
The InChIKey is AFMWYTZGDHKPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NOS/c13-11-7-9(12(14)17-11)10(15)5-4-8-3-1-2-6-16-8/h7-8,10H,1-6,15H2.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-amine?
1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-amine has a molecular weight of 383.15 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 63951729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).