1-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

C16H20ClFN2S — CID 61453182

IUPAC1-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCC(C)N(Cc1cccs1)C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C16H20ClFN2S/c1-11(2)20(10-12-5-4-8-21-12)15(9-19)16-13(17)6-3-7-14(16)18/h3-8,11,15H,9-10,19H2,1-2H3
InChIKeyBXYSUWBNDFNARC-UHFFFAOYSA-N
MW326.87 g/mol
LogP4.45
Rot. Bonds6

About 1-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

1-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 61453182) has the molecular formula C16H20ClFN2S and a molecular weight of 326.87 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID61453182
Molecular FormulaC16H20ClFN2S
Molecular Weight326.87 g/mol
Exact Mass326.10
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCC(C)N(Cc1cccs1)C(CN)c1c(F)cccc1Cl
InChIInChI=1S/C16H20ClFN2S/c1-11(2)20(10-12-5-4-8-21-12)15(9-19)16-13(17)6-3-7-14(16)18/h3-8,11,15H,9-10,19H2,1-2H3
InChIKeyBXYSUWBNDFNARC-UHFFFAOYSA-N
XLogP4.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-2-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 114487837
1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948279
1-(2-bromo-5-chlorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 66156837
1-(2-methylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61453349
1-(4-ethylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61453425
1-(5-ethylfuran-2-yl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62345660
1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115861153
1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271044
2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine
CID 83925233
1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61414930
1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002058
N-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 43126039

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 61453182) is 1-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is CC(C)N(Cc1cccs1)C(CN)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is BXYSUWBNDFNARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2S/c1-11(2)20(10-12-5-4-8-21-12)15(9-19)16-13(17)6-3-7-14(16)18/h3-8,11,15H,9-10,19H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
1-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 326.87 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61453182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).