4-ethoxy-5-fluoro-2-N-(2-propylcyclopropyl)benzene-1,2-diamine

C14H21FN2O — CID 114110430

IUPAC4-ethoxy-5-fluoro-2-N-(2-propylcyclopropyl)benzene-1,2-diamine
SMILESCCCC1CC1Nc1cc(OCC)c(F)cc1N
InChIInChI=1S/C14H21FN2O/c1-3-5-9-6-12(9)17-13-8-14(18-4-2)10(15)7-11(13)16/h7-9,12,17H,3-6,16H2,1-2H3
InChIKeyNFENXXFIBAVSIC-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.41
Rot. Bonds6

About 4-ethoxy-5-fluoro-2-N-(2-propylcyclopropyl)benzene-1,2-diamine

4-ethoxy-5-fluoro-2-N-(2-propylcyclopropyl)benzene-1,2-diamine (PubChem CID 114110430) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-N-(2-propylcyclopropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-N-(2-propylcyclopropyl)benzene-1,2-diamine
PubChem CID114110430
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name4-ethoxy-5-fluoro-2-N-(2-propylcyclopropyl)benzene-1,2-diamine
SMILESCCCC1CC1Nc1cc(OCC)c(F)cc1N
InChIInChI=1S/C14H21FN2O/c1-3-5-9-6-12(9)17-13-8-14(18-4-2)10(15)7-11(13)16/h7-9,12,17H,3-6,16H2,1-2H3
InChIKeyNFENXXFIBAVSIC-UHFFFAOYSA-N
XLogP3.41
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.41
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-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine
CID 64920927
4-(2-amino-5-ethoxy-4-fluoroanilino)cyclohexan-1-ol
CID 63592146
2-N-(1,3-dimethylpiperidin-4-yl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 114503017
4-fluoro-1-N-(2-methylcyclopentyl)-5-propoxybenzene-1,2-diamine
CID 63592295
2-N-(cyclopentylmethyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 55215889
2-N-(2-cyclopentylethyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 63592338
2-N-(1,1-dioxothian-3-yl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 63923493
4-ethoxy-5-fluoro-2-N-octylbenzene-1,2-diamine
CID 115566269
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
4-ethoxy-5-fluoro-2-N-hexan-3-ylbenzene-1,2-diamine
CID 63592175
1-N-(3,4-dimethylcyclohexyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 64740895

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-N-(2-propylcyclopropyl)benzene-1,2-diamine?
The IUPAC name of 4-ethoxy-5-fluoro-2-N-(2-propylcyclopropyl)benzene-1,2-diamine (CID 114110430) is 4-ethoxy-5-fluoro-2-N-(2-propylcyclopropyl)benzene-1,2-diamine.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-N-(2-propylcyclopropyl)benzene-1,2-diamine?
The canonical SMILES for 4-ethoxy-5-fluoro-2-N-(2-propylcyclopropyl)benzene-1,2-diamine is CCCC1CC1Nc1cc(OCC)c(F)cc1N.
What is the InChIKey of 4-ethoxy-5-fluoro-2-N-(2-propylcyclopropyl)benzene-1,2-diamine?
The InChIKey is NFENXXFIBAVSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-5-9-6-12(9)17-13-8-14(18-4-2)10(15)7-11(13)16/h7-9,12,17H,3-6,16H2,1-2H3.
What are the key properties of 4-ethoxy-5-fluoro-2-N-(2-propylcyclopropyl)benzene-1,2-diamine?
4-ethoxy-5-fluoro-2-N-(2-propylcyclopropyl)benzene-1,2-diamine has a molecular weight of 252.33 g/mol, XLogP of 3.41, 6 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-propylcyclopropyl)benzene-1,2-diamine is sourced from PubChem (CID 114110430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).