3-(2-bromo-5-chloro-1-benzothiophen-3-yl)propan-1-amine

C11H11BrClNS — CID 170868060

IUPAC3-(2-bromo-5-chloro-1-benzothiophen-3-yl)propan-1-amine
SMILESNCCCc1c(Br)sc2ccc(Cl)cc12
InChIInChI=1S/C11H11BrClNS/c12-11-8(2-1-5-14)9-6-7(13)3-4-10(9)15-11/h3-4,6H,1-2,5,14H2
InChIKeyUPMKVEBPGZHCNN-UHFFFAOYSA-N
MW304.64 g/mol
LogP4.21
Rot. Bonds3

About 3-(2-bromo-5-chloro-1-benzothiophen-3-yl)propan-1-amine

3-(2-bromo-5-chloro-1-benzothiophen-3-yl)propan-1-amine (PubChem CID 170868060) has the molecular formula C11H11BrClNS and a molecular weight of 304.64 g/mol. Its IUPAC name is 3-(2-bromo-5-chloro-1-benzothiophen-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-5-chloro-1-benzothiophen-3-yl)propan-1-amine
PubChem CID170868060
Molecular FormulaC11H11BrClNS
Molecular Weight304.64 g/mol
Exact Mass302.95
IUPAC Name3-(2-bromo-5-chloro-1-benzothiophen-3-yl)propan-1-amine
SMILESNCCCc1c(Br)sc2ccc(Cl)cc12
InChIInChI=1S/C11H11BrClNS/c12-11-8(2-1-5-14)9-6-7(13)3-4-10(9)15-11/h3-4,6H,1-2,5,14H2
InChIKeyUPMKVEBPGZHCNN-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.64
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-methyl-1-benzothiophen-3-yl)propan-1-amine
CID 83912557
3-(2-bromo-5-chloro-1-benzothiophen-3-yl)-N,N-dimethylpropan-1-amine
CID 170866860
3-bromo-2-(bromomethyl)-5-chloro-1-benzothiophene
CID 130971721
3,5-dichloro-2-methyl-1-benzothiophene
CID 59511137
2,5-dibromo-3-ethyl-1-benzothiophene
CID 131030787
3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 154878767
4-[7-bromo-2-(5-bromothiophen-2-yl)-5-chloro-1H-indol-3-yl]butan-1-amine
CID 4003137
4-[7-bromo-5-chloro-2-(5-chlorothiophen-2-yl)-1H-indol-3-yl]butan-1-amine
CID 3349595
5-chloro-2-methyl-1-benzothiophen-3-ol
CID 90918117
3-(5-bromo-1-benzothiophen-2-yl)propan-1-amine
CID 82625601
6-chloro-2-methylthiochromen-4-one
CID 2810162
5-chloro-2-methyl-1-benzothiophene-3-sulfonamide
CID 150846661

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-chloro-1-benzothiophen-3-yl)propan-1-amine?
The IUPAC name of 3-(2-bromo-5-chloro-1-benzothiophen-3-yl)propan-1-amine (CID 170868060) is 3-(2-bromo-5-chloro-1-benzothiophen-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2-bromo-5-chloro-1-benzothiophen-3-yl)propan-1-amine?
The canonical SMILES for 3-(2-bromo-5-chloro-1-benzothiophen-3-yl)propan-1-amine is NCCCc1c(Br)sc2ccc(Cl)cc12.
What is the InChIKey of 3-(2-bromo-5-chloro-1-benzothiophen-3-yl)propan-1-amine?
The InChIKey is UPMKVEBPGZHCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNS/c12-11-8(2-1-5-14)9-6-7(13)3-4-10(9)15-11/h3-4,6H,1-2,5,14H2.
What are the key properties of 3-(2-bromo-5-chloro-1-benzothiophen-3-yl)propan-1-amine?
3-(2-bromo-5-chloro-1-benzothiophen-3-yl)propan-1-amine has a molecular weight of 304.64 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-chloro-1-benzothiophen-3-yl)propan-1-amine is sourced from PubChem (CID 170868060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).