(5-bromothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine

C14H16BrNOS — CID 43384444

IUPAC(5-bromothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine
SMILESCOCCc1ccc(C(N)c2ccc(Br)s2)cc1
InChIInChI=1S/C14H16BrNOS/c1-17-9-8-10-2-4-11(5-3-10)14(16)12-6-7-13(15)18-12/h2-7,14H,8-9,16H2,1H3
InChIKeyZGJCFQYGCQDZMU-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.75
Rot. Bonds5

About (5-bromothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine

(5-bromothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine (PubChem CID 43384444) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine
PubChem CID43384444
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name(5-bromothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine
SMILESCOCCc1ccc(C(N)c2ccc(Br)s2)cc1
InChIInChI=1S/C14H16BrNOS/c1-17-9-8-10-2-4-11(5-3-10)14(16)12-6-7-13(15)18-12/h2-7,14H,8-9,16H2,1H3
InChIKeyZGJCFQYGCQDZMU-UHFFFAOYSA-N
XLogP3.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 55136672
(4-ethylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198378
(4-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198335
1-[4-(2-methoxyethyl)phenyl]butan-1-amine
CID 43198365
[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methanamine
CID 79803069
furan-2-yl-[4-(2-methoxyethyl)phenyl]methanamine
CID 43464362
(5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474194
(5-bromothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544376
2-(5-bromothiophen-2-yl)-3-methoxypropan-1-amine
CID 117240735
(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine
CID 61104551
(5-bromothiophen-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 65104934
(1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 93424951

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine (CID 43384444) is (5-bromothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine is COCCc1ccc(C(N)c2ccc(Br)s2)cc1.
What is the InChIKey of (5-bromothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine?
The InChIKey is ZGJCFQYGCQDZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-17-9-8-10-2-4-11(5-3-10)14(16)12-6-7-13(15)18-12/h2-7,14H,8-9,16H2,1H3.
What are the key properties of (5-bromothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine?
(5-bromothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine has a molecular weight of 326.26 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine is sourced from PubChem (CID 43384444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).