(7-bromo-1-benzothiophen-3-yl)-(1-methylcyclopentyl)methanamine

C15H18BrNS — CID 81142140

IUPAC(7-bromo-1-benzothiophen-3-yl)-(1-methylcyclopentyl)methanamine
SMILESCC1(C(N)c2csc3c(Br)cccc23)CCCC1
InChIInChI=1S/C15H18BrNS/c1-15(7-2-3-8-15)14(17)11-9-18-13-10(11)5-4-6-12(13)16/h4-6,9,14H,2-3,7-8,17H2,1H3
InChIKeyZTTDIIOHALYLHJ-UHFFFAOYSA-N
MW324.29 g/mol
LogP5.24
Rot. Bonds2

About (7-bromo-1-benzothiophen-3-yl)-(1-methylcyclopentyl)methanamine

(7-bromo-1-benzothiophen-3-yl)-(1-methylcyclopentyl)methanamine (PubChem CID 81142140) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is (7-bromo-1-benzothiophen-3-yl)-(1-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-3-yl)-(1-methylcyclopentyl)methanamine
PubChem CID81142140
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name(7-bromo-1-benzothiophen-3-yl)-(1-methylcyclopentyl)methanamine
SMILESCC1(C(N)c2csc3c(Br)cccc23)CCCC1
InChIInChI=1S/C15H18BrNS/c1-15(7-2-3-8-15)14(17)11-9-18-13-10(11)5-4-6-12(13)16/h4-6,9,14H,2-3,7-8,17H2,1H3
InChIKeyZTTDIIOHALYLHJ-UHFFFAOYSA-N
XLogP5.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.29
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(1-methylcyclopentyl)methanamine?
The IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(1-methylcyclopentyl)methanamine (CID 81142140) is (7-bromo-1-benzothiophen-3-yl)-(1-methylcyclopentyl)methanamine.
What is the SMILES notation for (7-bromo-1-benzothiophen-3-yl)-(1-methylcyclopentyl)methanamine?
The canonical SMILES for (7-bromo-1-benzothiophen-3-yl)-(1-methylcyclopentyl)methanamine is CC1(C(N)c2csc3c(Br)cccc23)CCCC1.
What is the InChIKey of (7-bromo-1-benzothiophen-3-yl)-(1-methylcyclopentyl)methanamine?
The InChIKey is ZTTDIIOHALYLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-15(7-2-3-8-15)14(17)11-9-18-13-10(11)5-4-6-12(13)16/h4-6,9,14H,2-3,7-8,17H2,1H3.
What are the key properties of (7-bromo-1-benzothiophen-3-yl)-(1-methylcyclopentyl)methanamine?
(7-bromo-1-benzothiophen-3-yl)-(1-methylcyclopentyl)methanamine has a molecular weight of 324.29 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzothiophen-3-yl)-(1-methylcyclopentyl)methanamine is sourced from PubChem (CID 81142140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).