1-(4-bromo-5-methylthiophen-2-yl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine

C15H19BrN2OS — CID 102838954

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
SMILESCOc1cccc(N(C)C(CN)c2cc(Br)c(C)s2)c1
InChIInChI=1S/C15H19BrN2OS/c1-10-13(16)8-15(20-10)14(9-17)18(2)11-5-4-6-12(7-11)19-3/h4-8,14H,9,17H2,1-3H3
InChIKeyKYDHKOCTQXYIIO-UHFFFAOYSA-N
MW355.30 g/mol
LogP3.96
Rot. Bonds5

About 1-(4-bromo-5-methylthiophen-2-yl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine

1-(4-bromo-5-methylthiophen-2-yl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine (PubChem CID 102838954) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
PubChem CID102838954
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
SMILESCOc1cccc(N(C)C(CN)c2cc(Br)c(C)s2)c1
InChIInChI=1S/C15H19BrN2OS/c1-10-13(16)8-15(20-10)14(9-17)18(2)11-5-4-6-12(7-11)19-3/h4-8,14H,9,17H2,1-3H3
InChIKeyKYDHKOCTQXYIIO-UHFFFAOYSA-N
XLogP3.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 102838629
1-(4-fluoro-2-methylphenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 62135493
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 102838561
1-(4-bromo-5-methylthiophen-2-yl)-N-[(3-bromophenyl)methyl]-N-methylethane-1,2-diamine
CID 102838606
1-(4-bromo-5-methylthiophen-2-yl)-N-[(2-bromophenyl)methyl]-N-methylethane-1,2-diamine
CID 102838611
1-(4-bromo-5-methylthiophen-2-yl)-N-[1-(3-chlorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 102839141
N-(3-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986634
1-(3-chloro-4-fluorophenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 81148330
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 102839001
1-(4-bromo-5-methylthiophen-2-yl)-N-(2-methoxyethyl)-N-pentan-3-ylethane-1,2-diamine
CID 102838866
N-(3-methoxyphenyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 70530947
methyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(3-methoxyanilino)acetate
CID 102840834

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine (CID 102838954) is 1-(4-bromo-5-methylthiophen-2-yl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine is COc1cccc(N(C)C(CN)c2cc(Br)c(C)s2)c1.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine?
The InChIKey is KYDHKOCTQXYIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c1-10-13(16)8-15(20-10)14(9-17)18(2)11-5-4-6-12(7-11)19-3/h4-8,14H,9,17H2,1-3H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine?
1-(4-bromo-5-methylthiophen-2-yl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine has a molecular weight of 355.30 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 102838954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).