1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine

C15H18BrClN2S — CID 102838978

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
SMILESCc1ccc(N(C)C(CN)c2cc(Br)c(Cl)s2)c(C)c1
InChIInChI=1S/C15H18BrClN2S/c1-9-4-5-12(10(2)6-9)19(3)13(8-18)14-7-11(16)15(17)20-14/h4-7,13H,8,18H2,1-3H3
InChIKeyJRCLKPJHFBJWLN-UHFFFAOYSA-N
MW373.75 g/mol
LogP4.92
Rot. Bonds4

About 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine

1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine (PubChem CID 102838978) has the molecular formula C15H18BrClN2S and a molecular weight of 373.75 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
PubChem CID102838978
Molecular FormulaC15H18BrClN2S
Molecular Weight373.75 g/mol
Exact Mass372.01
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
SMILESCc1ccc(N(C)C(CN)c2cc(Br)c(Cl)s2)c(C)c1
InChIInChI=1S/C15H18BrClN2S/c1-9-4-5-12(10(2)6-9)19(3)13(8-18)14-7-11(16)15(17)20-14/h4-7,13H,8,18H2,1-3H3
InChIKeyJRCLKPJHFBJWLN-UHFFFAOYSA-N
XLogP4.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.75
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 102839001
1-(3-bromothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 115380402
N-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine
CID 62003894
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 102838655
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 102838401
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 102839687
3-bromo-5-[bromo-(2-bromo-4-methylphenyl)methyl]-2-chlorothiophene
CID 102836721
1-(4-bromo-5-chlorothiophen-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 102838794
N-(2,4-dimethylphenyl)-1-(6-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine
CID 114937122
1-(4,5-dibromothiophen-2-yl)-N,N-dimethylethane-1,2-diamine
CID 102838170
N-(2,4-dimethylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571837
1-(4-bromo-5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
CID 102839484

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine (CID 102838978) is 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine is Cc1ccc(N(C)C(CN)c2cc(Br)c(Cl)s2)c(C)c1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine?
The InChIKey is JRCLKPJHFBJWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2S/c1-9-4-5-12(10(2)6-9)19(3)13(8-18)14-7-11(16)15(17)20-14/h4-7,13H,8,18H2,1-3H3.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine?
1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine has a molecular weight of 373.75 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 102838978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).