4-ethoxy-5-fluoro-2-N-[(2-methylcyclopentyl)methyl]benzene-1,2-diamine

C15H23FN2O — CID 107416598

IUPAC4-ethoxy-5-fluoro-2-N-[(2-methylcyclopentyl)methyl]benzene-1,2-diamine
SMILESCCOc1cc(NCC2CCCC2C)c(N)cc1F
InChIInChI=1S/C15H23FN2O/c1-3-19-15-8-14(13(17)7-12(15)16)18-9-11-6-4-5-10(11)2/h7-8,10-11,18H,3-6,9,17H2,1-2H3
InChIKeyABEDITVUSGZJCX-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.65
Rot. Bonds5

About 4-ethoxy-5-fluoro-2-N-[(2-methylcyclopentyl)methyl]benzene-1,2-diamine

4-ethoxy-5-fluoro-2-N-[(2-methylcyclopentyl)methyl]benzene-1,2-diamine (PubChem CID 107416598) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-N-[(2-methylcyclopentyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-N-[(2-methylcyclopentyl)methyl]benzene-1,2-diamine
PubChem CID107416598
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-ethoxy-5-fluoro-2-N-[(2-methylcyclopentyl)methyl]benzene-1,2-diamine
SMILESCCOc1cc(NCC2CCCC2C)c(N)cc1F
InChIInChI=1S/C15H23FN2O/c1-3-19-15-8-14(13(17)7-12(15)16)18-9-11-6-4-5-10(11)2/h7-8,10-11,18H,3-6,9,17H2,1-2H3
InChIKeyABEDITVUSGZJCX-UHFFFAOYSA-N
XLogP3.65
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-5-fluoro-2-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine
CID 63593053
2-N-(cyclopentylmethyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 55215889
4-ethoxy-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluorobenzene-1,2-diamine
CID 63594101
2-N-(2-cyclopentylethyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 63592338
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-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine
CID 64920927
3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide
CID 63594462
4-chloro-1-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine
CID 55013528
4-ethoxy-5-fluoro-2-N-octylbenzene-1,2-diamine
CID 115566269
2-N-(1,3-dimethylpiperidin-4-yl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 114503017
4-ethoxy-5-fluoro-2-N-(2-propylcyclopropyl)benzene-1,2-diamine
CID 114110430

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-N-[(2-methylcyclopentyl)methyl]benzene-1,2-diamine?
The IUPAC name of 4-ethoxy-5-fluoro-2-N-[(2-methylcyclopentyl)methyl]benzene-1,2-diamine (CID 107416598) is 4-ethoxy-5-fluoro-2-N-[(2-methylcyclopentyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-N-[(2-methylcyclopentyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-ethoxy-5-fluoro-2-N-[(2-methylcyclopentyl)methyl]benzene-1,2-diamine is CCOc1cc(NCC2CCCC2C)c(N)cc1F.
What is the InChIKey of 4-ethoxy-5-fluoro-2-N-[(2-methylcyclopentyl)methyl]benzene-1,2-diamine?
The InChIKey is ABEDITVUSGZJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-19-15-8-14(13(17)7-12(15)16)18-9-11-6-4-5-10(11)2/h7-8,10-11,18H,3-6,9,17H2,1-2H3.
What are the key properties of 4-ethoxy-5-fluoro-2-N-[(2-methylcyclopentyl)methyl]benzene-1,2-diamine?
4-ethoxy-5-fluoro-2-N-[(2-methylcyclopentyl)methyl]benzene-1,2-diamine has a molecular weight of 266.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-fluoro-2-N-[(2-methylcyclopentyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 107416598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).