1-(4-fluoro-3-methylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol

C17H26FNO2 — CID 62811193

IUPAC1-(4-fluoro-3-methylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCc1cc(NCC(O)COC2CCC(C)CC2)ccc1F
InChIInChI=1S/C17H26FNO2/c1-12-3-6-16(7-4-12)21-11-15(20)10-19-14-5-8-17(18)13(2)9-14/h5,8-9,12,15-16,19-20H,3-4,6-7,10-11H2,1-2H3
InChIKeyDEBDYVYPIIKVHF-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.50
Rot. Bonds6

About 1-(4-fluoro-3-methylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol

1-(4-fluoro-3-methylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol (PubChem CID 62811193) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
PubChem CID62811193
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name1-(4-fluoro-3-methylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCc1cc(NCC(O)COC2CCC(C)CC2)ccc1F
InChIInChI=1S/C17H26FNO2/c1-12-3-6-16(7-4-12)21-11-15(20)10-19-14-5-8-17(18)13(2)9-14/h5,8-9,12,15-16,19-20H,3-4,6-7,10-11H2,1-2H3
InChIKeyDEBDYVYPIIKVHF-UHFFFAOYSA-N
XLogP3.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluoroanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 83095950
1-(2,6-dimethylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62332086
1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 61466824
1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol
CID 60902650
1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol
CID 60897752
1-(2-methoxyanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60899171
1-cyclopentyloxy-3-(2,3-dihydro-1H-inden-5-ylamino)propan-2-ol
CID 60898492
1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol
CID 60898837
1-(3,4-difluoroanilino)-3-hexoxypropan-2-ol
CID 60898959
1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol
CID 60899841
1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol
CID 107152434
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(4-fluoro-3-methylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol (CID 62811193) is 1-(4-fluoro-3-methylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(4-fluoro-3-methylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(4-fluoro-3-methylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol is Cc1cc(NCC(O)COC2CCC(C)CC2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is DEBDYVYPIIKVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-12-3-6-16(7-4-12)21-11-15(20)10-19-14-5-8-17(18)13(2)9-14/h5,8-9,12,15-16,19-20H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
1-(4-fluoro-3-methylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 295.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 62811193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).