[5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine

C13H13BrClNOS — CID 112619743

IUPAC[5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine
SMILESCc1cc(Br)cc(CN)c1OCc1ccc(Cl)s1
InChIInChI=1S/C13H13BrClNOS/c1-8-4-10(14)5-9(6-16)13(8)17-7-11-2-3-12(15)18-11/h2-5H,6-7,16H2,1H3
InChIKeyWXDJCYMBFMJMNG-UHFFFAOYSA-N
MW346.68 g/mol
LogP4.51
Rot. Bonds4

About [5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine

[5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine (PubChem CID 112619743) has the molecular formula C13H13BrClNOS and a molecular weight of 346.68 g/mol. Its IUPAC name is [5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine
PubChem CID112619743
Molecular FormulaC13H13BrClNOS
Molecular Weight346.68 g/mol
Exact Mass344.96
IUPAC Name[5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine
SMILESCc1cc(Br)cc(CN)c1OCc1ccc(Cl)s1
InChIInChI=1S/C13H13BrClNOS/c1-8-4-10(14)5-9(6-16)13(8)17-7-11-2-3-12(15)18-11/h2-5H,6-7,16H2,1H3
InChIKeyWXDJCYMBFMJMNG-UHFFFAOYSA-N
XLogP4.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.68
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine with MolForge

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Related Compounds

[5-bromo-3-methyl-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 112619895
[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methanamine
CID 103037907
2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-5-chlorothiophene
CID 112614144
[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanol
CID 28933274
5-bromo-2-[(5-bromothiophen-2-yl)methoxy]-3-methylaniline
CID 79843438
[5-bromo-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 112619888
[2-[(5-chlorothiophen-2-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608155
4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide
CID 65472321
[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]methanamine
CID 112619707
[5-bromo-2-(2-ethylsulfonylethoxy)-3-methylphenyl]methanamine
CID 112619878
[4-[(5-bromothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanamine
CID 60880164
[5-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]methanamine
CID 115960875

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine?
The IUPAC name of [5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine (CID 112619743) is [5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine.
What is the SMILES notation for [5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine?
The canonical SMILES for [5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine is Cc1cc(Br)cc(CN)c1OCc1ccc(Cl)s1.
What is the InChIKey of [5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine?
The InChIKey is WXDJCYMBFMJMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNOS/c1-8-4-10(14)5-9(6-16)13(8)17-7-11-2-3-12(15)18-11/h2-5H,6-7,16H2,1H3.
What are the key properties of [5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine?
[5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine has a molecular weight of 346.68 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine is sourced from PubChem (CID 112619743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).