[3-bromo-5-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methanamine

C14H16BrNO2S — CID 63776382

IUPAC[3-bromo-5-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
SMILESCOc1cc(CN)cc(Br)c1OCCc1cccs1
InChIInChI=1S/C14H16BrNO2S/c1-17-13-8-10(9-16)7-12(15)14(13)18-5-4-11-3-2-6-19-11/h2-3,6-8H,4-5,9,16H2,1H3
InChIKeyAUFVHTWKGCHYJK-UHFFFAOYSA-N
MW342.26 g/mol
LogP3.60
Rot. Bonds6

About [3-bromo-5-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methanamine

[3-bromo-5-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methanamine (PubChem CID 63776382) has the molecular formula C14H16BrNO2S and a molecular weight of 342.26 g/mol. Its IUPAC name is [3-bromo-5-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-5-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
PubChem CID63776382
Molecular FormulaC14H16BrNO2S
Molecular Weight342.26 g/mol
Exact Mass341.01
IUPAC Name[3-bromo-5-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
SMILESCOc1cc(CN)cc(Br)c1OCCc1cccs1
InChIInChI=1S/C14H16BrNO2S/c1-17-13-8-10(9-16)7-12(15)14(13)18-5-4-11-3-2-6-19-11/h2-3,6-8H,4-5,9,16H2,1H3
InChIKeyAUFVHTWKGCHYJK-UHFFFAOYSA-N
XLogP3.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-bromo-5-methoxy-4-(2-phenylethoxy)phenyl]methanamine
CID 43622210
[3,5-difluoro-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
CID 79886131
(3-bromo-5-methoxy-4-pentoxyphenyl)methanamine
CID 7139507
2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene
CID 63776256
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
[4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-(thiophen-2-ylmethyl)azanium
CID 7380579
5-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]pentan-1-ol
CID 55053052
[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60888896
1-bromo-5-(bromomethyl)-3-methoxy-2-(2-phenylethoxy)benzene
CID 43622757
[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 43622274
2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N,N-diethylethanamine
CID 43622229
2-[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63773539

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methanamine?
The IUPAC name of [3-bromo-5-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methanamine (CID 63776382) is [3-bromo-5-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methanamine.
What is the SMILES notation for [3-bromo-5-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methanamine?
The canonical SMILES for [3-bromo-5-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methanamine is COc1cc(CN)cc(Br)c1OCCc1cccs1.
What is the InChIKey of [3-bromo-5-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methanamine?
The InChIKey is AUFVHTWKGCHYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S/c1-17-13-8-10(9-16)7-12(15)14(13)18-5-4-11-3-2-6-19-11/h2-3,6-8H,4-5,9,16H2,1H3.
What are the key properties of [3-bromo-5-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methanamine?
[3-bromo-5-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methanamine has a molecular weight of 342.26 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methanamine is sourced from PubChem (CID 63776382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).