[1-(2-amino-5-ethoxy-4-fluoroanilino)-4-methylcyclohexyl]methanol

C16H25FN2O2 — CID 63594133

IUPAC[1-(2-amino-5-ethoxy-4-fluoroanilino)-4-methylcyclohexyl]methanol
SMILESCCOc1cc(NC2(CO)CCC(C)CC2)c(N)cc1F
InChIInChI=1S/C16H25FN2O2/c1-3-21-15-9-14(13(18)8-12(15)17)19-16(10-20)6-4-11(2)5-7-16/h8-9,11,19-20H,3-7,10,18H2,1-2H3
InChIKeyGMYFDRNIIBKXNB-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.16
Rot. Bonds5

About [1-(2-amino-5-ethoxy-4-fluoroanilino)-4-methylcyclohexyl]methanol

[1-(2-amino-5-ethoxy-4-fluoroanilino)-4-methylcyclohexyl]methanol (PubChem CID 63594133) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is [1-(2-amino-5-ethoxy-4-fluoroanilino)-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-amino-5-ethoxy-4-fluoroanilino)-4-methylcyclohexyl]methanol
PubChem CID63594133
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name[1-(2-amino-5-ethoxy-4-fluoroanilino)-4-methylcyclohexyl]methanol
SMILESCCOc1cc(NC2(CO)CCC(C)CC2)c(N)cc1F
InChIInChI=1S/C16H25FN2O2/c1-3-21-15-9-14(13(18)8-12(15)17)19-16(10-20)6-4-11(2)5-7-16/h8-9,11,19-20H,3-7,10,18H2,1-2H3
InChIKeyGMYFDRNIIBKXNB-UHFFFAOYSA-N
XLogP3.16
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.16
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

[1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]cyclohexyl]methanol
CID 63591935
4-(2-amino-5-ethoxy-4-fluoroanilino)cyclohexan-1-ol
CID 63592146
2-N-(cyclopentylmethyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 55215889
4-amino-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]benzonitrile
CID 104711878
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-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine
CID 64920927
[1-(3-amino-5-propoxyanilino)-4-methylcyclohexyl]methanol
CID 80739430
[1-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-4-methylcyclohexyl]methanol
CID 62552477
2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527087
2-N-(2-cyclopentylethyl)-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 63592338
[1-(2-amino-5-fluoro-4-iodoanilino)-3-methylcyclohexyl]methanol
CID 66101096

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-5-ethoxy-4-fluoroanilino)-4-methylcyclohexyl]methanol?
The IUPAC name of [1-(2-amino-5-ethoxy-4-fluoroanilino)-4-methylcyclohexyl]methanol (CID 63594133) is [1-(2-amino-5-ethoxy-4-fluoroanilino)-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(2-amino-5-ethoxy-4-fluoroanilino)-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-(2-amino-5-ethoxy-4-fluoroanilino)-4-methylcyclohexyl]methanol is CCOc1cc(NC2(CO)CCC(C)CC2)c(N)cc1F.
What is the InChIKey of [1-(2-amino-5-ethoxy-4-fluoroanilino)-4-methylcyclohexyl]methanol?
The InChIKey is GMYFDRNIIBKXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-3-21-15-9-14(13(18)8-12(15)17)19-16(10-20)6-4-11(2)5-7-16/h8-9,11,19-20H,3-7,10,18H2,1-2H3.
What are the key properties of [1-(2-amino-5-ethoxy-4-fluoroanilino)-4-methylcyclohexyl]methanol?
[1-(2-amino-5-ethoxy-4-fluoroanilino)-4-methylcyclohexyl]methanol has a molecular weight of 296.39 g/mol, XLogP of 3.16, 5 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)-4-methylcyclohexyl]methanol is sourced from PubChem (CID 63594133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).