4-(difluoromethoxy)-2-N-ethyl-5-fluoro-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine

C14H15F3N2OS — CID 63593671

IUPAC4-(difluoromethoxy)-2-N-ethyl-5-fluoro-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
SMILESCCN(Cc1cccs1)c1cc(OC(F)F)c(F)cc1N
InChIInChI=1S/C14H15F3N2OS/c1-2-19(8-9-4-3-5-21-9)12-7-13(20-14(16)17)10(15)6-11(12)18/h3-7,14H,2,8,18H2,1H3
InChIKeyRWOOGCDVANHLAP-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.10
Rot. Bonds6

About 4-(difluoromethoxy)-2-N-ethyl-5-fluoro-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine

4-(difluoromethoxy)-2-N-ethyl-5-fluoro-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine (PubChem CID 63593671) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-N-ethyl-5-fluoro-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-N-ethyl-5-fluoro-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
PubChem CID63593671
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name4-(difluoromethoxy)-2-N-ethyl-5-fluoro-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
SMILESCCN(Cc1cccs1)c1cc(OC(F)F)c(F)cc1N
InChIInChI=1S/C14H15F3N2OS/c1-2-19(8-9-4-3-5-21-9)12-7-13(20-14(16)17)10(15)6-11(12)18/h3-7,14H,2,8,18H2,1H3
InChIKeyRWOOGCDVANHLAP-UHFFFAOYSA-N
XLogP4.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-ethyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 61436608
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 61437248
4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 107081323
4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide
CID 55190702
4-N-ethyl-4-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61436657
2-N-(cyclopropylmethyl)-4-(difluoromethoxy)-5-fluoro-2-N-propylbenzene-1,2-diamine
CID 63593831
4-[ethyl(thiophen-2-ylmethyl)amino]-3-fluorobenzenecarbothioamide
CID 61437463
3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 102813648
4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide
CID 115368028
2-N-cyclohexyl-4-(difluoromethoxy)-2-N-ethyl-5-fluorobenzene-1,2-diamine
CID 63594154
4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
CID 63815129

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-N-ethyl-5-fluoro-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 4-(difluoromethoxy)-2-N-ethyl-5-fluoro-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine (CID 63593671) is 4-(difluoromethoxy)-2-N-ethyl-5-fluoro-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-(difluoromethoxy)-2-N-ethyl-5-fluoro-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 4-(difluoromethoxy)-2-N-ethyl-5-fluoro-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine is CCN(Cc1cccs1)c1cc(OC(F)F)c(F)cc1N.
What is the InChIKey of 4-(difluoromethoxy)-2-N-ethyl-5-fluoro-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine?
The InChIKey is RWOOGCDVANHLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-2-19(8-9-4-3-5-21-9)12-7-13(20-14(16)17)10(15)6-11(12)18/h3-7,14H,2,8,18H2,1H3.
What are the key properties of 4-(difluoromethoxy)-2-N-ethyl-5-fluoro-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine?
4-(difluoromethoxy)-2-N-ethyl-5-fluoro-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine has a molecular weight of 316.35 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-N-ethyl-5-fluoro-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 63593671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).