1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-2-amine

C12H18BrNOS — CID 115847784

IUPAC1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-2-amine
SMILESNC(CCC1CCCO1)Cc1cc(Br)cs1
InChIInChI=1S/C12H18BrNOS/c13-9-6-12(16-8-9)7-10(14)3-4-11-2-1-5-15-11/h6,8,10-11H,1-5,7,14H2
InChIKeyWVYMJBCSZVJCJG-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.34
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-2-amine

1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-2-amine (PubChem CID 115847784) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-2-amine
PubChem CID115847784
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-2-amine
SMILESNC(CCC1CCCO1)Cc1cc(Br)cs1
InChIInChI=1S/C12H18BrNOS/c13-9-6-12(16-8-9)7-10(14)3-4-11-2-1-5-15-11/h6,8,10-11H,1-5,7,14H2
InChIKeyWVYMJBCSZVJCJG-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 65164817
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
[1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105222541
1-(5-bromo-2-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine
CID 115817102
1-(furan-2-yl)-4-(oxolan-2-yl)butan-2-amine
CID 105029349
1-(cyclohexen-1-yl)-4-(oxolan-2-yl)butan-2-amine
CID 116661250
1-(3,5-difluorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 105412483
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine
CID 105015928
1-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164593
1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 107167237
1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951755

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-2-amine (CID 115847784) is 1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-2-amine is NC(CCC1CCCO1)Cc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is WVYMJBCSZVJCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c13-9-6-12(16-8-9)7-10(14)3-4-11-2-1-5-15-11/h6,8,10-11H,1-5,7,14H2.
What are the key properties of 1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-2-amine?
1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 304.25 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 115847784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).