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

C13H14BrNO2S — CID 55240103

IUPAC(3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2sccc2Br)c(OC)c1
InChIInChI=1S/C13H14BrNO2S/c1-16-8-3-4-9(11(7-8)17-2)12(15)13-10(14)5-6-18-13/h3-7,12H,15H2,1-2H3
InChIKeyKHFJRCMSFRNWHZ-UHFFFAOYSA-N
MW328.23 g/mol
LogP3.58
Rot. Bonds4

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

(3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine (PubChem CID 55240103) has the molecular formula C13H14BrNO2S and a molecular weight of 328.23 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
PubChem CID55240103
Molecular FormulaC13H14BrNO2S
Molecular Weight328.23 g/mol
Exact Mass326.99
IUPAC Name(3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2sccc2Br)c(OC)c1
InChIInChI=1S/C13H14BrNO2S/c1-16-8-3-4-9(11(7-8)17-2)12(15)13-10(14)5-6-18-13/h3-7,12H,15H2,1-2H3
InChIKeyKHFJRCMSFRNWHZ-UHFFFAOYSA-N
XLogP3.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 53.58
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-chlorothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 80529748
(2-bromo-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63796861
(3-bromo-5-methylthiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 65279816
(3-bromo-4-methoxyphenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43131080
(2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine
CID 81156141
(2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197258
(2,4-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 105145174
(3-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanamine
CID 63798442
1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine
CID 105021986
(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 43198782
(4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine
CID 105145080

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine?
The IUPAC name of (3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine (CID 55240103) is (3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for (3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine?
The canonical SMILES for (3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine is COc1ccc(C(N)c2sccc2Br)c(OC)c1.
What is the InChIKey of (3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine?
The InChIKey is KHFJRCMSFRNWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2S/c1-16-8-3-4-9(11(7-8)17-2)12(15)13-10(14)5-6-18-13/h3-7,12H,15H2,1-2H3.
What are the key properties of (3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine?
(3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine has a molecular weight of 328.23 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 55240103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).