4-ethoxy-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine

C16H25FN2O — CID 64920927

IUPAC4-ethoxy-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine
SMILESCCOc1cc(NC2CCC(CC)C2C)c(N)cc1F
InChIInChI=1S/C16H25FN2O/c1-4-11-6-7-14(10(11)3)19-15-9-16(20-5-2)12(17)8-13(15)18/h8-11,14,19H,4-7,18H2,1-3H3
InChIKeyMAFJHGIEJRKRHH-UHFFFAOYSA-N
MW280.39 g/mol
LogP4.04
Rot. Bonds5

About 4-ethoxy-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine

4-ethoxy-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine (PubChem CID 64920927) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-ethoxy-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name4-ethoxy-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine
PubChem CID64920927
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name4-ethoxy-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine
SMILESCCOc1cc(NC2CCC(CC)C2C)c(N)cc1F
InChIInChI=1S/C16H25FN2O/c1-4-11-6-7-14(10(11)3)19-15-9-16(20-5-2)12(17)8-13(15)18/h8-11,14,19H,4-7,18H2,1-3H3
InChIKeyMAFJHGIEJRKRHH-UHFFFAOYSA-N
XLogP4.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethoxy-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-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

4-chloro-1-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine
CID 66077665
4-ethoxy-5-fluoro-2-N-(2-propylcyclopropyl)benzene-1,2-diamine
CID 114110430
2-N-(1,3-dimethylpiperidin-4-yl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 114503017
4-(2-amino-5-ethoxy-4-fluoroanilino)cyclohexan-1-ol
CID 63592146
4-fluoro-1-N-(2-methylcyclopentyl)-5-propoxybenzene-1,2-diamine
CID 63592295
4-ethoxy-5-fluoro-2-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine
CID 63593053
4-ethoxy-5-fluoro-2-N-[(2-methylcyclopentyl)methyl]benzene-1,2-diamine
CID 107416598
2-N-(cyclopentylmethyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 55215889
2-N-(1,1-dioxothian-3-yl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 63923493
2-N-(2-cyclopentylethyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 63592338
3-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide
CID 64922106
[1-(2-amino-5-ethoxy-4-fluoroanilino)-4-methylcyclohexyl]methanol
CID 63594133

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine?
The IUPAC name of 4-ethoxy-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine (CID 64920927) is 4-ethoxy-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine.
What is the SMILES notation for 4-ethoxy-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine?
The canonical SMILES for 4-ethoxy-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine is CCOc1cc(NC2CCC(CC)C2C)c(N)cc1F.
What is the InChIKey of 4-ethoxy-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine?
The InChIKey is MAFJHGIEJRKRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-11-6-7-14(10(11)3)19-15-9-16(20-5-2)12(17)8-13(15)18/h8-11,14,19H,4-7,18H2,1-3H3.
What are the key properties of 4-ethoxy-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine?
4-ethoxy-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine has a molecular weight of 280.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine is sourced from PubChem (CID 64920927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).