1-(7-bromo-1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine

C15H18BrNOS — CID 81141916

IUPAC1-(7-bromo-1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1csc2c(Br)cccc12)C1CCOCC1
InChIInChI=1S/C15H18BrNOS/c1-17-14(10-5-7-18-8-6-10)12-9-19-15-11(12)3-2-4-13(15)16/h2-4,9-10,14,17H,5-8H2,1H3
InChIKeyFGQZHMYELFKERC-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.35
Rot. Bonds3

About 1-(7-bromo-1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine

1-(7-bromo-1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 81141916) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-(7-bromo-1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-(7-bromo-1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID81141916
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name1-(7-bromo-1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1csc2c(Br)cccc12)C1CCOCC1
InChIInChI=1S/C15H18BrNOS/c1-17-14(10-5-7-18-8-6-10)12-9-19-15-11(12)3-2-4-13(15)16/h2-4,9-10,14,17H,5-8H2,1H3
InChIKeyFGQZHMYELFKERC-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131784
N-[(7-bromo-1-benzothiophen-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 81142151
1-(2-bicyclo[2.2.1]heptanyl)-1-(7-bromo-1-benzothiophen-3-yl)-N-methylmethanamine
CID 81133126
1-(7-bromo-1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylmethanamine
CID 104519044
(7-bromo-1-benzothiophen-3-yl)-cyclopentylmethanol
CID 81153438
1-(4-bromonaphthalen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 79597072
(7-bromo-1-benzothiophen-3-yl)-(2-methyloxolan-3-yl)methanol
CID 81153940
7-bromo-3-(1-bromo-2-cyclobutylethyl)-1-benzothiophene
CID 103165984
1-(7-bromo-1-benzothiophen-3-yl)-1-(5-chlorofuran-2-yl)-N-methylmethanamine
CID 106684548
(7-bromo-1-benzothiophen-3-yl)-(5-methyloxolan-3-yl)methanamine
CID 114825350
1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine
CID 43485797
1-(7-bromo-1-benzothiophen-3-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81480330

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-(7-bromo-1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine (CID 81141916) is 1-(7-bromo-1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-(7-bromo-1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-(7-bromo-1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine is CNC(c1csc2c(Br)cccc12)C1CCOCC1.
What is the InChIKey of 1-(7-bromo-1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is FGQZHMYELFKERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-17-14(10-5-7-18-8-6-10)12-9-19-15-11(12)3-2-4-13(15)16/h2-4,9-10,14,17H,5-8H2,1H3.
What are the key properties of 1-(7-bromo-1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine?
1-(7-bromo-1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 340.29 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 81141916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).