1-cyclopentyl-N-(2,3-difluoro-6-nitrophenyl)ethane-1,2-diamine

C13H17F2N3O2 — CID 106738349

IUPAC1-cyclopentyl-N-(2,3-difluoro-6-nitrophenyl)ethane-1,2-diamine
SMILESNCC(Nc1c([N+](=O)[O-])ccc(F)c1F)C1CCCC1
InChIInChI=1S/C13H17F2N3O2/c14-9-5-6-11(18(19)20)13(12(9)15)17-10(7-16)8-3-1-2-4-8/h5-6,8,10,17H,1-4,7,16H2
InChIKeyCDLNRTXUJAJGST-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.80
Rot. Bonds5

About 1-cyclopentyl-N-(2,3-difluoro-6-nitrophenyl)ethane-1,2-diamine

1-cyclopentyl-N-(2,3-difluoro-6-nitrophenyl)ethane-1,2-diamine (PubChem CID 106738349) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is 1-cyclopentyl-N-(2,3-difluoro-6-nitrophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-(2,3-difluoro-6-nitrophenyl)ethane-1,2-diamine
PubChem CID106738349
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC Name1-cyclopentyl-N-(2,3-difluoro-6-nitrophenyl)ethane-1,2-diamine
SMILESNCC(Nc1c([N+](=O)[O-])ccc(F)c1F)C1CCCC1
InChIInChI=1S/C13H17F2N3O2/c14-9-5-6-11(18(19)20)13(12(9)15)17-10(7-16)8-3-1-2-4-8/h5-6,8,10,17H,1-4,7,16H2
InChIKeyCDLNRTXUJAJGST-UHFFFAOYSA-N
XLogP2.80
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-cyclopentyl-N-(2,3-difluoro-6-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

1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine
CID 103594245
1-cyclopentyl-N-(2-nitrophenyl)ethane-1,2-diamine
CID 106738241
1-N-(2-amino-1-cyclohexylethyl)-4-nitrobenzene-1,3-diamine
CID 106749961
N-(4-chloro-5-fluoro-2-nitrophenyl)-1-cyclohexylethane-1,2-diamine
CID 115309612
N-(5-chloro-2-nitrophenyl)-1-cyclopropylethane-1,2-diamine
CID 113316435
1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine
CID 106738167
5-[(2-amino-1-cyclopentylethyl)amino]-2-nitrobenzonitrile
CID 106738094
1-cyclopentyl-N-(2-methyl-3-nitrophenyl)ethane-1,2-diamine
CID 106738229
1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309440
2-[(2-amino-1-cyclopentylethyl)amino]-5-nitrobenzonitrile
CID 106738095
4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide
CID 106738233
1-cyclohexyl-N-(5-nitropyrimidin-2-yl)ethane-1,2-diamine
CID 115309590

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(2,3-difluoro-6-nitrophenyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-(2,3-difluoro-6-nitrophenyl)ethane-1,2-diamine (CID 106738349) is 1-cyclopentyl-N-(2,3-difluoro-6-nitrophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-(2,3-difluoro-6-nitrophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-(2,3-difluoro-6-nitrophenyl)ethane-1,2-diamine is NCC(Nc1c([N+](=O)[O-])ccc(F)c1F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(2,3-difluoro-6-nitrophenyl)ethane-1,2-diamine?
The InChIKey is CDLNRTXUJAJGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c14-9-5-6-11(18(19)20)13(12(9)15)17-10(7-16)8-3-1-2-4-8/h5-6,8,10,17H,1-4,7,16H2.
What are the key properties of 1-cyclopentyl-N-(2,3-difluoro-6-nitrophenyl)ethane-1,2-diamine?
1-cyclopentyl-N-(2,3-difluoro-6-nitrophenyl)ethane-1,2-diamine has a molecular weight of 285.29 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(2,3-difluoro-6-nitrophenyl)ethane-1,2-diamine is sourced from PubChem (CID 106738349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).