N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine

C16H21FN2S — CID 62574525

IUPACN'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCN(CCNCCc1cccs1)Cc1cccc(F)c1
InChIInChI=1S/C16H21FN2S/c1-19(13-14-4-2-5-15(17)12-14)10-9-18-8-7-16-6-3-11-20-16/h2-6,11-12,18H,7-10,13H2,1H3
InChIKeyJEGWEYIWVGNPQA-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.15
Rot. Bonds8

About N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine

N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 62574525) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID62574525
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC NameN'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCN(CCNCCc1cccs1)Cc1cccc(F)c1
InChIInChI=1S/C16H21FN2S/c1-19(13-14-4-2-5-15(17)12-14)10-9-18-8-7-16-6-3-11-20-16/h2-6,11-12,18H,7-10,13H2,1H3
InChIKeyJEGWEYIWVGNPQA-UHFFFAOYSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[(3-fluorophenyl)methyl]-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

N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62557056
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62418448
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574524
N'-butyl-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62575943
N'-[(2-chlorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556387
N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 115767520
N'-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 55084972
1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 28668397
N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62573436
2-[[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110048078
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55144234
N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560031

Frequently Asked Questions

What is the IUPAC name of N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine (CID 62574525) is N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine is CN(CCNCCc1cccs1)Cc1cccc(F)c1.
What is the InChIKey of N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is JEGWEYIWVGNPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-19(13-14-4-2-5-15(17)12-14)10-9-18-8-7-16-6-3-11-20-16/h2-6,11-12,18H,7-10,13H2,1H3.
What are the key properties of N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 292.42 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 62574525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).