(2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine

C13H13Br2NO2S — CID 63796861

IUPAC(2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine
SMILESCOc1cc(Br)c(C(N)c2sccc2Br)cc1OC
InChIInChI=1S/C13H13Br2NO2S/c1-17-10-5-7(9(15)6-11(10)18-2)12(16)13-8(14)3-4-19-13/h3-6,12H,16H2,1-2H3
InChIKeyDGINVOPKQSYBKS-UHFFFAOYSA-N
MW407.13 g/mol
LogP4.34
Rot. Bonds4

About (2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine

(2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine (PubChem CID 63796861) has the molecular formula C13H13Br2NO2S and a molecular weight of 407.13 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine
PubChem CID63796861
Molecular FormulaC13H13Br2NO2S
Molecular Weight407.13 g/mol
Exact Mass404.90
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine
SMILESCOc1cc(Br)c(C(N)c2sccc2Br)cc1OC
InChIInChI=1S/C13H13Br2NO2S/c1-17-10-5-7(9(15)6-11(10)18-2)12(16)13-8(14)3-4-19-13/h3-6,12H,16H2,1-2H3
InChIKeyDGINVOPKQSYBKS-UHFFFAOYSA-N
XLogP4.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.13
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63797566
(3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 55240103
(2,5-dibromo-4-methylphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 81473921
2-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]-3-methoxythiophene
CID 81124391
[(3-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]hydrazine
CID 105327817
(3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine
CID 63798442
(R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
CID 171198892
(2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine
CID 114368828
(2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine
CID 43118265
(2-bromo-4,5-dimethoxyphenyl)-(5-methylfuran-2-yl)methanamine
CID 43464484
(3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine
CID 105010950
(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine
CID 63797552

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine (CID 63796861) is (2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine is COc1cc(Br)c(C(N)c2sccc2Br)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine?
The InChIKey is DGINVOPKQSYBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NO2S/c1-17-10-5-7(9(15)6-11(10)18-2)12(16)13-8(14)3-4-19-13/h3-6,12H,16H2,1-2H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine?
(2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine has a molecular weight of 407.13 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine is sourced from PubChem (CID 63796861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).