(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine

C15H18BrNO2S — CID 63797552

IUPAC(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine
SMILESCCOc1ccc(C(N)c2sccc2Br)cc1OCC
InChIInChI=1S/C15H18BrNO2S/c1-3-18-12-6-5-10(9-13(12)19-4-2)14(17)15-11(16)7-8-20-15/h5-9,14H,3-4,17H2,1-2H3
InChIKeyOQSQHYIPCMRYEA-UHFFFAOYSA-N
MW356.29 g/mol
LogP4.36
Rot. Bonds6

About (3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine

(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine (PubChem CID 63797552) has the molecular formula C15H18BrNO2S and a molecular weight of 356.29 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine
PubChem CID63797552
Molecular FormulaC15H18BrNO2S
Molecular Weight356.29 g/mol
Exact Mass355.02
IUPAC Name(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine
SMILESCCOc1ccc(C(N)c2sccc2Br)cc1OCC
InChIInChI=1S/C15H18BrNO2S/c1-3-18-12-6-5-10(9-13(12)19-4-2)14(17)15-11(16)7-8-20-15/h5-9,14H,3-4,17H2,1-2H3
InChIKeyOQSQHYIPCMRYEA-UHFFFAOYSA-N
XLogP4.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanol
CID 63796447
(3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine
CID 63798442
(3-bromothiophen-2-yl)-(4-propan-2-ylphenyl)methanamine
CID 63796873
(3-bromo-4-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103401408
(3,4-diethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105143436
(3-bromothiophen-2-yl)-(4-tert-butylphenyl)methanamine
CID 55240105
(3-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanamine
CID 63797040
(2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63796861
(5-bromo-2-ethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 81126555
2-[bromo-(3-bromo-4-ethoxyphenyl)methyl]-3-ethylthiophene
CID 104661842
(S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine
CID 171212249
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 104657472

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine?
The IUPAC name of (3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine (CID 63797552) is (3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine.
What is the SMILES notation for (3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine?
The canonical SMILES for (3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine is CCOc1ccc(C(N)c2sccc2Br)cc1OCC.
What is the InChIKey of (3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine?
The InChIKey is OQSQHYIPCMRYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2S/c1-3-18-12-6-5-10(9-13(12)19-4-2)14(17)15-11(16)7-8-20-15/h5-9,14H,3-4,17H2,1-2H3.
What are the key properties of (3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine?
(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine has a molecular weight of 356.29 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine is sourced from PubChem (CID 63797552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).