1-(2-bromo-4,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

C15H19BrN2O2S — CID 65380356

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCOc1cc(Br)c(C(CN)NCc2cccs2)cc1OC
InChIInChI=1S/C15H19BrN2O2S/c1-19-14-6-11(12(16)7-15(14)20-2)13(8-17)18-9-10-4-3-5-21-10/h3-7,13,18H,8-9,17H2,1-2H3
InChIKeyDDYXJLBZMDDDSV-UHFFFAOYSA-N
MW371.30 g/mol
LogP3.32
Rot. Bonds7

About 1-(2-bromo-4,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

1-(2-bromo-4,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 65380356) has the molecular formula C15H19BrN2O2S and a molecular weight of 371.30 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID65380356
Molecular FormulaC15H19BrN2O2S
Molecular Weight371.30 g/mol
Exact Mass370.04
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCOc1cc(Br)c(C(CN)NCc2cccs2)cc1OC
InChIInChI=1S/C15H19BrN2O2S/c1-19-14-6-11(12(16)7-15(14)20-2)13(8-17)18-9-10-4-3-5-21-10/h3-7,13,18H,8-9,17H2,1-2H3
InChIKeyDDYXJLBZMDDDSV-UHFFFAOYSA-N
XLogP3.32
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 66480167
1-(2-bromo-4,5-dimethoxyphenyl)-N-propylethane-1,2-diamine
CID 62066577
1-(2-bromo-4,5-dimethoxyphenyl)-2-thiophen-2-ylethanol
CID 65146026
1-(2-bromo-4,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 62065826
1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65381967
1-(4-bromo-3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 81437460
1-(2,5-difluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65380159
2-[2-bromo-2-(2,4,5-trimethoxyphenyl)ethyl]thiophene
CID 63017617
2-[(2-bromo-4,5-dimethoxyphenyl)-chloromethyl]thiophene
CID 61085407
1-(3-chloro-2-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 114487950
1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65379558
1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65380761

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 65380356) is 1-(2-bromo-4,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is COc1cc(Br)c(C(CN)NCc2cccs2)cc1OC.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is DDYXJLBZMDDDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2S/c1-19-14-6-11(12(16)7-15(14)20-2)13(8-17)18-9-10-4-3-5-21-10/h3-7,13,18H,8-9,17H2,1-2H3.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
1-(2-bromo-4,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 371.30 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 65380356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).