1-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]ethane-1,2-diamine

C15H18F2N2OS — CID 156902209

IUPAC1-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]ethane-1,2-diamine
SMILESCCOCc1cc(-c2ccc(C(N)CN)c(F)c2F)cs1
InChIInChI=1S/C15H18F2N2OS/c1-2-20-7-10-5-9(8-21-10)11-3-4-12(13(19)6-18)15(17)14(11)16/h3-5,8,13H,2,6-7,18-19H2,1H3
InChIKeyYIVNDRHVCGSEEC-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.19
Rot. Bonds6

About 1-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]ethane-1,2-diamine

1-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]ethane-1,2-diamine (PubChem CID 156902209) has the molecular formula C15H18F2N2OS and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]ethane-1,2-diamine
PubChem CID156902209
Molecular FormulaC15H18F2N2OS
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]ethane-1,2-diamine
SMILESCCOCc1cc(-c2ccc(C(N)CN)c(F)c2F)cs1
InChIInChI=1S/C15H18F2N2OS/c1-2-20-7-10-5-9(8-21-10)11-3-4-12(13(19)6-18)15(17)14(11)16/h3-5,8,13H,2,6-7,18-19H2,1H3
InChIKeyYIVNDRHVCGSEEC-UHFFFAOYSA-N
XLogP3.19
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2,3-Difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]imidazolidin-2-one
CID 156902162
4-[4-[5-(Ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]imidazolidin-2-one
CID 156902179
1-[2,3-Difluoro-4-[5-(methoxymethyl)thiophen-3-yl]phenyl]ethane-1,2-diamine
CID 156902189
[4-Fluoro-3-(thiophen-2-ylmethoxymethyl)phenyl]methanamine
CID 54966714
[3-Fluoro-4-(thiophen-2-ylmethoxymethyl)phenyl]methanamine
CID 54966764
[4-Fluoro-3-(2-thiophen-2-ylethoxymethyl)phenyl]methanamine
CID 54966862
[3-Fluoro-4-(2-thiophen-2-ylethoxymethyl)phenyl]methanamine
CID 54966863
3-Fluoro-4-(thiophen-2-ylmethoxymethyl)benzenecarbothioamide
CID 54966915
2-(4-Fluorophenyl)-2-(thiophen-2-ylmethoxy)ethanamine
CID 55014933
1-(4-Fluorophenyl)-1-(thiophen-2-ylmethoxy)propan-2-amine
CID 55014934
1-(4-Fluorophenyl)-1-(thiophen-2-ylmethoxy)butan-2-amine
CID 55014981
2-(4-Fluorophenyl)-2-(2-thiophen-2-ylethoxy)ethanamine
CID 55014982

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]ethane-1,2-diamine?
The IUPAC name of 1-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]ethane-1,2-diamine (CID 156902209) is 1-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]ethane-1,2-diamine.
What is the SMILES notation for 1-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]ethane-1,2-diamine?
The canonical SMILES for 1-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]ethane-1,2-diamine is CCOCc1cc(-c2ccc(C(N)CN)c(F)c2F)cs1.
What is the InChIKey of 1-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]ethane-1,2-diamine?
The InChIKey is YIVNDRHVCGSEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2OS/c1-2-20-7-10-5-9(8-21-10)11-3-4-12(13(19)6-18)15(17)14(11)16/h3-5,8,13H,2,6-7,18-19H2,1H3.
What are the key properties of 1-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]ethane-1,2-diamine?
1-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]ethane-1,2-diamine has a molecular weight of 312.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(ethoxymethyl)thiophen-3-yl]-2,3-difluorophenyl]ethane-1,2-diamine is sourced from PubChem (CID 156902209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).