1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine

C16H21FN2OS — CID 79471465

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)N(C)CCc2cccs2)cc1F
InChIInChI=1S/C16H21FN2OS/c1-19(8-7-13-4-3-9-21-13)15(11-18)12-5-6-16(20-2)14(17)10-12/h3-6,9-10,15H,7-8,11,18H2,1-2H3
InChIKeyMTYXABKWUWEEEJ-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.07
Rot. Bonds7

About 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine

1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 79471465) has the molecular formula C16H21FN2OS and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID79471465
Molecular FormulaC16H21FN2OS
Molecular Weight308.42 g/mol
Exact Mass308.14
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)N(C)CCc2cccs2)cc1F
InChIInChI=1S/C16H21FN2OS/c1-19(8-7-13-4-3-9-21-13)15(11-18)12-5-6-16(20-2)14(17)10-12/h3-6,9-10,15H,7-8,11,18H2,1-2H3
InChIKeyMTYXABKWUWEEEJ-UHFFFAOYSA-N
XLogP3.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)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-(3,4-difluorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527395
N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79472526
1-(2,5-difluorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79475845
N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)-N-methylethane-1,2-diamine
CID 65096619
2-[2-bromo-2-(3-fluoro-4-methoxyphenyl)ethyl]thiophene
CID 63018350
1-[2-(methoxymethyl)phenyl]-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79471274
1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105144559
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115860982
1-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527387
1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527436
1-(4-bromo-3-fluorophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 81436521
4,4-dimethoxy-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
CID 79475548

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine (CID 79471465) is 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine is COc1ccc(C(CN)N(C)CCc2cccs2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is MTYXABKWUWEEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2OS/c1-19(8-7-13-4-3-9-21-13)15(11-18)12-5-6-16(20-2)14(17)10-12/h3-6,9-10,15H,7-8,11,18H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 308.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 79471465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).