1-[2-(1-benzothiophen-3-ylmethoxy)-5-bromophenyl]-N-methylmethanamine

C17H16BrNOS — CID 63743330

IUPAC1-[2-(1-benzothiophen-3-ylmethoxy)-5-bromophenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)ccc1OCc1csc2ccccc12
InChIInChI=1S/C17H16BrNOS/c1-19-9-12-8-14(18)6-7-16(12)20-10-13-11-21-17-5-3-2-4-15(13)17/h2-8,11,19H,9-10H2,1H3
InChIKeySDLUGMJTISAPSM-UHFFFAOYSA-N
MW362.29 g/mol
LogP4.96
Rot. Bonds5

About 1-[2-(1-benzothiophen-3-ylmethoxy)-5-bromophenyl]-N-methylmethanamine

1-[2-(1-benzothiophen-3-ylmethoxy)-5-bromophenyl]-N-methylmethanamine (PubChem CID 63743330) has the molecular formula C17H16BrNOS and a molecular weight of 362.29 g/mol. Its IUPAC name is 1-[2-(1-benzothiophen-3-ylmethoxy)-5-bromophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-benzothiophen-3-ylmethoxy)-5-bromophenyl]-N-methylmethanamine
PubChem CID63743330
Molecular FormulaC17H16BrNOS
Molecular Weight362.29 g/mol
Exact Mass361.01
IUPAC Name1-[2-(1-benzothiophen-3-ylmethoxy)-5-bromophenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)ccc1OCc1csc2ccccc12
InChIInChI=1S/C17H16BrNOS/c1-19-9-12-8-14(18)6-7-16(12)20-10-13-11-21-17-5-3-2-4-15(13)17/h2-8,11,19H,9-10H2,1H3
InChIKeySDLUGMJTISAPSM-UHFFFAOYSA-N
XLogP4.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromo-4-methylphenoxy)methyl]-1-benzothiophene
CID 63742992
1-[2-(1-benzothiophen-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 115952256
3-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-1-benzothiophene
CID 63739324
3-[(2-methoxyphenoxy)methyl]-1-benzothiophene
CID 117170894
[2-(1-benzothiophen-3-ylmethoxy)-5-chlorophenyl]methanamine
CID 63743324
4-(1-benzothiophen-3-ylmethoxy)-3-methoxyaniline
CID 63744670
3-[[4-bromo-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62888583
1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 60881982
1-[5-bromo-2-(3-fluoropropoxy)phenyl]-N-methylmethanamine
CID 81105522
4-[[4-bromo-2-(methylaminomethyl)phenoxy]methyl]-3-methylbenzonitrile
CID 114479466
1-[5-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 102876048
3-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-benzothiophene
CID 63737043

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzothiophen-3-ylmethoxy)-5-bromophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-benzothiophen-3-ylmethoxy)-5-bromophenyl]-N-methylmethanamine (CID 63743330) is 1-[2-(1-benzothiophen-3-ylmethoxy)-5-bromophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-benzothiophen-3-ylmethoxy)-5-bromophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-benzothiophen-3-ylmethoxy)-5-bromophenyl]-N-methylmethanamine is CNCc1cc(Br)ccc1OCc1csc2ccccc12.
What is the InChIKey of 1-[2-(1-benzothiophen-3-ylmethoxy)-5-bromophenyl]-N-methylmethanamine?
The InChIKey is SDLUGMJTISAPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNOS/c1-19-9-12-8-14(18)6-7-16(12)20-10-13-11-21-17-5-3-2-4-15(13)17/h2-8,11,19H,9-10H2,1H3.
What are the key properties of 1-[2-(1-benzothiophen-3-ylmethoxy)-5-bromophenyl]-N-methylmethanamine?
1-[2-(1-benzothiophen-3-ylmethoxy)-5-bromophenyl]-N-methylmethanamine has a molecular weight of 362.29 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzothiophen-3-ylmethoxy)-5-bromophenyl]-N-methylmethanamine is sourced from PubChem (CID 63743330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).