N-[(6-bromo-1-benzothiophen-2-yl)methyl]propan-2-amine

C12H14BrNS — CID 117179882

IUPACN-[(6-bromo-1-benzothiophen-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cc2ccc(Br)cc2s1
InChIInChI=1S/C12H14BrNS/c1-8(2)14-7-11-5-9-3-4-10(13)6-12(9)15-11/h3-6,8,14H,7H2,1-2H3
InChIKeyFBSZATXOPRVYLC-UHFFFAOYSA-N
MW284.22 g/mol
LogP4.16
Rot. Bonds3

About N-[(6-bromo-1-benzothiophen-2-yl)methyl]propan-2-amine

N-[(6-bromo-1-benzothiophen-2-yl)methyl]propan-2-amine (PubChem CID 117179882) has the molecular formula C12H14BrNS and a molecular weight of 284.22 g/mol. Its IUPAC name is N-[(6-bromo-1-benzothiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-bromo-1-benzothiophen-2-yl)methyl]propan-2-amine
PubChem CID117179882
Molecular FormulaC12H14BrNS
Molecular Weight284.22 g/mol
Exact Mass283.00
IUPAC NameN-[(6-bromo-1-benzothiophen-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cc2ccc(Br)cc2s1
InChIInChI=1S/C12H14BrNS/c1-8(2)14-7-11-5-9-3-4-10(13)6-12(9)15-11/h3-6,8,14H,7H2,1-2H3
InChIKeyFBSZATXOPRVYLC-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Benzo[b]thiophen-2-yl)-N-methylmethanamine
CID 693141
N-(4-bromobenzyl)-N-(2-thienylmethyl)amine
CID 834255
2-Methyl-4-(p-bromophenyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine hydrochloride
CID 20546729
N-[(6-bromo-1-benzothiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 145984839
(5-Bromo-1-benzothiophen-2-YL)methanamine
CID 71043269
(6-Bromobenzo[b]thiophen-2-yl)methanamine
CID 82622131
2-Thenylamine, alpha-(p-bromobenzyl)-N-isopropyl-, hydrochloride
CID 3062011
N-(1-benzothiophen-2-ylmethyl)cyclohexanamine
CID 12844258
N-(1-benzothiophen-2-ylmethyl)cycloheptanamine
CID 63505104
4-(4-bromophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine
CID 83747727
N-[(6-bromo-1-benzothiophen-2-yl)methyl]cyclooctanamine
CID 171350075
N-(1-benzothiophen-2-ylmethyl)cyclooctanamine
CID 171354734

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-1-benzothiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(6-bromo-1-benzothiophen-2-yl)methyl]propan-2-amine (CID 117179882) is N-[(6-bromo-1-benzothiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-bromo-1-benzothiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-bromo-1-benzothiophen-2-yl)methyl]propan-2-amine is CC(C)NCc1cc2ccc(Br)cc2s1.
What is the InChIKey of N-[(6-bromo-1-benzothiophen-2-yl)methyl]propan-2-amine?
The InChIKey is FBSZATXOPRVYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNS/c1-8(2)14-7-11-5-9-3-4-10(13)6-12(9)15-11/h3-6,8,14H,7H2,1-2H3.
What are the key properties of N-[(6-bromo-1-benzothiophen-2-yl)methyl]propan-2-amine?
N-[(6-bromo-1-benzothiophen-2-yl)methyl]propan-2-amine has a molecular weight of 284.22 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-1-benzothiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 117179882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).