1-(5-bromothiophen-2-yl)-3-(oxan-2-yl)propan-1-amine

C12H18BrNOS — CID 63951738

IUPAC1-(5-bromothiophen-2-yl)-3-(oxan-2-yl)propan-1-amine
SMILESNC(CCC1CCCCO1)c1ccc(Br)s1
InChIInChI=1S/C12H18BrNOS/c13-12-7-6-11(16-12)10(14)5-4-9-3-1-2-8-15-9/h6-7,9-10H,1-5,8,14H2
InChIKeyDSVFARIKULXNCE-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.86
Rot. Bonds4

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

1-(5-bromothiophen-2-yl)-3-(oxan-2-yl)propan-1-amine (PubChem CID 63951738) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-(oxan-2-yl)propan-1-amine
PubChem CID63951738
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name1-(5-bromothiophen-2-yl)-3-(oxan-2-yl)propan-1-amine
SMILESNC(CCC1CCCCO1)c1ccc(Br)s1
InChIInChI=1S/C12H18BrNOS/c13-12-7-6-11(16-12)10(14)5-4-9-3-1-2-8-15-9/h6-7,9-10H,1-5,8,14H2
InChIKeyDSVFARIKULXNCE-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromothiophen-2-yl)-3-(oxan-2-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-3-(oxan-2-yl)propan-1-amine
CID 79991199
1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-amine
CID 63951729
1-(5-bromothiophen-2-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 54983746
1-(4-bromonaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine
CID 79589897
2-[3-chloro-3-(5-chlorothiophen-2-yl)propyl]oxane
CID 63950981
1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine
CID 63953738
3-(oxan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990469
3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 63952126
1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63953943
1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 65164817
1-(4-butylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63952731
1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54983656

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-(oxan-2-yl)propan-1-amine (CID 63951738) is 1-(5-bromothiophen-2-yl)-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-(oxan-2-yl)propan-1-amine is NC(CCC1CCCCO1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-(oxan-2-yl)propan-1-amine?
The InChIKey is DSVFARIKULXNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c13-12-7-6-11(16-12)10(14)5-4-9-3-1-2-8-15-9/h6-7,9-10H,1-5,8,14H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-(oxan-2-yl)propan-1-amine?
1-(5-bromothiophen-2-yl)-3-(oxan-2-yl)propan-1-amine has a molecular weight of 304.25 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 63951738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).