1-(2-amino-5-ethoxy-4-fluoroanilino)-2-methylpentan-2-ol

C14H23FN2O2 — CID 106290189

IUPAC1-(2-amino-5-ethoxy-4-fluoroanilino)-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(OCC)c(F)cc1N
InChIInChI=1S/C14H23FN2O2/c1-4-6-14(3,18)9-17-12-8-13(19-5-2)10(15)7-11(12)16/h7-8,17-18H,4-6,9,16H2,1-3H3
InChIKeyPJBQOSGDLSUYMQ-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.77
Rot. Bonds7

About 1-(2-amino-5-ethoxy-4-fluoroanilino)-2-methylpentan-2-ol

1-(2-amino-5-ethoxy-4-fluoroanilino)-2-methylpentan-2-ol (PubChem CID 106290189) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-(2-amino-5-ethoxy-4-fluoroanilino)-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2-amino-5-ethoxy-4-fluoroanilino)-2-methylpentan-2-ol
PubChem CID106290189
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name1-(2-amino-5-ethoxy-4-fluoroanilino)-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(OCC)c(F)cc1N
InChIInChI=1S/C14H23FN2O2/c1-4-6-14(3,18)9-17-12-8-13(19-5-2)10(15)7-11(12)16/h7-8,17-18H,4-6,9,16H2,1-3H3
InChIKeyPJBQOSGDLSUYMQ-UHFFFAOYSA-N
XLogP2.77
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-5-fluoro-2-N-octylbenzene-1,2-diamine
CID 115566269
3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide
CID 63594462
4-ethoxy-5-fluoro-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine
CID 106426443
1-(2-amino-3,5-difluoroanilino)-2-methylpentan-2-ol
CID 106290155
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
4-ethoxy-5-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 63594299
4-ethoxy-5-fluoro-2-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine
CID 106393343
1-N-(2,2-dimethylbutyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103460154
4-ethoxy-5-fluoro-2-N-(1,3-thiazol-2-ylmethyl)benzene-1,2-diamine
CID 55216858
4-ethoxy-5-fluoro-2-N-[2-(2-methoxyethoxy)ethyl]benzene-1,2-diamine
CID 63594479
4-ethoxy-5-fluoro-2-N-(2-phenylethyl)benzene-1,2-diamine
CID 63593384

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-ethoxy-4-fluoroanilino)-2-methylpentan-2-ol?
The IUPAC name of 1-(2-amino-5-ethoxy-4-fluoroanilino)-2-methylpentan-2-ol (CID 106290189) is 1-(2-amino-5-ethoxy-4-fluoroanilino)-2-methylpentan-2-ol.
What is the SMILES notation for 1-(2-amino-5-ethoxy-4-fluoroanilino)-2-methylpentan-2-ol?
The canonical SMILES for 1-(2-amino-5-ethoxy-4-fluoroanilino)-2-methylpentan-2-ol is CCCC(C)(O)CNc1cc(OCC)c(F)cc1N.
What is the InChIKey of 1-(2-amino-5-ethoxy-4-fluoroanilino)-2-methylpentan-2-ol?
The InChIKey is PJBQOSGDLSUYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-4-6-14(3,18)9-17-12-8-13(19-5-2)10(15)7-11(12)16/h7-8,17-18H,4-6,9,16H2,1-3H3.
What are the key properties of 1-(2-amino-5-ethoxy-4-fluoroanilino)-2-methylpentan-2-ol?
1-(2-amino-5-ethoxy-4-fluoroanilino)-2-methylpentan-2-ol has a molecular weight of 270.35 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-ethoxy-4-fluoroanilino)-2-methylpentan-2-ol is sourced from PubChem (CID 106290189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).