1-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine

C13H14ClFN2OS — CID 114839027

IUPAC1-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cc(NC(CN)c2ccc(Cl)s2)ccc1F
InChIInChI=1S/C13H14ClFN2OS/c1-18-11-6-8(2-3-9(11)15)17-10(7-16)12-4-5-13(14)19-12/h2-6,10,17H,7,16H2,1H3
InChIKeyRAZRLLKQNXKCLG-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.66
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine

1-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine (PubChem CID 114839027) has the molecular formula C13H14ClFN2OS and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
PubChem CID114839027
Molecular FormulaC13H14ClFN2OS
Molecular Weight300.79 g/mol
Exact Mass300.05
IUPAC Name1-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cc(NC(CN)c2ccc(Cl)s2)ccc1F
InChIInChI=1S/C13H14ClFN2OS/c1-18-11-6-8(2-3-9(11)15)17-10(7-16)12-4-5-13(14)19-12/h2-6,10,17H,7,16H2,1H3
InChIKeyRAZRLLKQNXKCLG-UHFFFAOYSA-N
XLogP3.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol
CID 114839015
N-[(5-chlorothiophen-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81283886
N-[1-(4-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114837677
N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839038
1-cyclopentyl-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839107
2-N-(4-fluoro-3-methoxyphenyl)-3-methylhexane-1,2-diamine
CID 114839130
N-(4-chlorophenyl)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 65385525
N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline
CID 43503453
4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline
CID 114871894
2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115844898
N-(3-chloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 107364475
[(5-chlorothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105303967

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine (CID 114839027) is 1-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine is COc1cc(NC(CN)c2ccc(Cl)s2)ccc1F.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is RAZRLLKQNXKCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2OS/c1-18-11-6-8(2-3-9(11)15)17-10(7-16)12-4-5-13(14)19-12/h2-6,10,17H,7,16H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine?
1-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 300.79 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 114839027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).