N-cyclopropyl-N'-(5-fluoro-2-nitrophenyl)ethane-1,2-diamine

C11H14FN3O2 — CID 62665396

IUPACN-cyclopropyl-N'-(5-fluoro-2-nitrophenyl)ethane-1,2-diamine
SMILESO=[N+]([O-])c1ccc(F)cc1NCCNC1CC1
InChIInChI=1S/C11H14FN3O2/c12-8-1-4-11(15(16)17)10(7-8)14-6-5-13-9-2-3-9/h1,4,7,9,13-14H,2-3,5-6H2
InChIKeyATWWQYVNMSAXIG-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.90
Rot. Bonds6

About N-cyclopropyl-N'-(5-fluoro-2-nitrophenyl)ethane-1,2-diamine

N-cyclopropyl-N'-(5-fluoro-2-nitrophenyl)ethane-1,2-diamine (PubChem CID 62665396) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is N-cyclopropyl-N'-(5-fluoro-2-nitrophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(5-fluoro-2-nitrophenyl)ethane-1,2-diamine
PubChem CID62665396
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC NameN-cyclopropyl-N'-(5-fluoro-2-nitrophenyl)ethane-1,2-diamine
SMILESO=[N+]([O-])c1ccc(F)cc1NCCNC1CC1
InChIInChI=1S/C11H14FN3O2/c12-8-1-4-11(15(16)17)10(7-8)14-6-5-13-9-2-3-9/h1,4,7,9,13-14H,2-3,5-6H2
InChIKeyATWWQYVNMSAXIG-UHFFFAOYSA-N
XLogP1.90
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-cyclopropyl-N'-(5-fluoro-2-nitrophenyl)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

5-fluoro-2-nitro-N-propylaniline
CID 50987928
N-[3-(cyclopropylmethoxy)propyl]-5-fluoro-2-nitroaniline
CID 107302309
5-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-nitroaniline
CID 62376423
2-(5-fluoro-2-nitroanilino)ethylurea
CID 83114042
N-cyclopentyl-5-fluoro-2-nitroaniline
CID 62376758
4-[(5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol
CID 106130359
N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine
CID 62663408
5-fluoro-2-nitro-N-(2-prop-2-ynylsulfanylethyl)aniline
CID 107302333
N-cyclopropyl-N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine
CID 63672015
1-(5-fluoro-2-nitroanilino)pentan-3-ol
CID 113497687
5-(5-fluoro-2-nitroanilino)pentanoic acid
CID 18695414
5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 62378347

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(5-fluoro-2-nitrophenyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-(5-fluoro-2-nitrophenyl)ethane-1,2-diamine (CID 62665396) is N-cyclopropyl-N'-(5-fluoro-2-nitrophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(5-fluoro-2-nitrophenyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-(5-fluoro-2-nitrophenyl)ethane-1,2-diamine is O=[N+]([O-])c1ccc(F)cc1NCCNC1CC1.
What is the InChIKey of N-cyclopropyl-N'-(5-fluoro-2-nitrophenyl)ethane-1,2-diamine?
The InChIKey is ATWWQYVNMSAXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c12-8-1-4-11(15(16)17)10(7-8)14-6-5-13-9-2-3-9/h1,4,7,9,13-14H,2-3,5-6H2.
What are the key properties of N-cyclopropyl-N'-(5-fluoro-2-nitrophenyl)ethane-1,2-diamine?
N-cyclopropyl-N'-(5-fluoro-2-nitrophenyl)ethane-1,2-diamine has a molecular weight of 239.25 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(5-fluoro-2-nitrophenyl)ethane-1,2-diamine is sourced from PubChem (CID 62665396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).