[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]methanamine

C13H13BrClNO2S — CID 104664127

IUPAC[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]methanamine
SMILESCOc1cc(Cl)cc(CN)c1OCc1sccc1Br
InChIInChI=1S/C13H13BrClNO2S/c1-17-11-5-9(15)4-8(6-16)13(11)18-7-12-10(14)2-3-19-12/h2-5H,6-7,16H2,1H3
InChIKeyQSVWWHWHMJOTQD-UHFFFAOYSA-N
MW362.68 g/mol
LogP4.21
Rot. Bonds5

About [2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]methanamine

[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]methanamine (PubChem CID 104664127) has the molecular formula C13H13BrClNO2S and a molecular weight of 362.68 g/mol. Its IUPAC name is [2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]methanamine
PubChem CID104664127
Molecular FormulaC13H13BrClNO2S
Molecular Weight362.68 g/mol
Exact Mass360.95
IUPAC Name[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]methanamine
SMILESCOc1cc(Cl)cc(CN)c1OCc1sccc1Br
InChIInChI=1S/C13H13BrClNO2S/c1-17-11-5-9(15)4-8(6-16)13(11)18-7-12-10(14)2-3-19-12/h2-5H,6-7,16H2,1H3
InChIKeyQSVWWHWHMJOTQD-UHFFFAOYSA-N
XLogP4.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.68
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]-N-methylmethanamine
CID 104664426
2-[3,5-dibromo-4-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanamine
CID 107739418
(5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanamine
CID 104664287
[5-chloro-3-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanamine
CID 104664167
3-bromo-2-[(2-bromo-4-methoxyphenoxy)methyl]thiophene
CID 104707478
(5-chloro-2-hexoxy-3-methoxyphenyl)methanamine
CID 104664304
(2-but-2-ynoxy-5-chloro-3-methoxyphenyl)methanamine
CID 104664143
[5-chloro-3-methoxy-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 104664190
(1S)-1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chlorophenyl]ethanamine
CID 63366655
N-[(3-bromothiophen-2-yl)methyl]-1-(5-chloro-2-methoxyphenyl)methanamine
CID 78943520
2-[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-methoxyphenyl]ethanamine
CID 104666894
2-[(3-bromothiophen-2-yl)methoxy]-4-chlorobenzonitrile
CID 114322746

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]methanamine?
The IUPAC name of [2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]methanamine (CID 104664127) is [2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]methanamine.
What is the SMILES notation for [2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]methanamine?
The canonical SMILES for [2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]methanamine is COc1cc(Cl)cc(CN)c1OCc1sccc1Br.
What is the InChIKey of [2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]methanamine?
The InChIKey is QSVWWHWHMJOTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNO2S/c1-17-11-5-9(15)4-8(6-16)13(11)18-7-12-10(14)2-3-19-12/h2-5H,6-7,16H2,1H3.
What are the key properties of [2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]methanamine?
[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]methanamine has a molecular weight of 362.68 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]methanamine is sourced from PubChem (CID 104664127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).