N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine

C10H14F2N2 — CID 115195405

IUPACN'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine
SMILESNCCNCCc1cc(F)ccc1F
InChIInChI=1S/C10H14F2N2/c11-9-1-2-10(12)8(7-9)3-5-14-6-4-13/h1-2,7,14H,3-6,13H2
InChIKeyRHTSYBUNHVXZRV-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.06
Rot. Bonds5

About N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine

N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine (PubChem CID 115195405) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine
PubChem CID115195405
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC NameN'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine
SMILESNCCNCCc1cc(F)ccc1F
InChIInChI=1S/C10H14F2N2/c11-9-1-2-10(12)8(7-9)3-5-14-6-4-13/h1-2,7,14H,3-6,13H2
InChIKeyRHTSYBUNHVXZRV-UHFFFAOYSA-N
XLogP1.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[2-(2,5-difluorophenyl)ethyl]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'-[2-(5-bromo-2-fluorophenyl)ethyl]ethane-1,2-diamine
CID 115195477
5-[2-(2,5-difluorophenyl)ethylamino]pentan-2-one
CID 115236677
4-[2-(2,5-difluorophenyl)ethylamino]butan-2-one
CID 115235909
2-amino-N-[2-(2,5-difluorophenyl)ethyl]acetamide
CID 82492756
N'-[2-(2,4-difluorophenyl)ethyl]methanediamine
CID 115226055
2-(2,5-difluorophenyl)ethylurea
CID 115168493
3-[2-(2,5-difluorophenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115135457
N-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 115726285
N'-[2-(2,4-difluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202122
3-[2-(2,4-difluorophenyl)ethylamino]propane-1-thiol
CID 115225126
1,4-difluoro-2-(2-iodoethyl)benzene
CID 147661564
2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 115152492

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine (CID 115195405) is N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine is NCCNCCc1cc(F)ccc1F.
What is the InChIKey of N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine?
The InChIKey is RHTSYBUNHVXZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c11-9-1-2-10(12)8(7-9)3-5-14-6-4-13/h1-2,7,14H,3-6,13H2.
What are the key properties of N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine?
N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine has a molecular weight of 200.23 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 115195405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).