1-[(3,5-dimethylcyclohexyl)amino]-3-(2-fluorophenoxy)propan-2-ol

C17H26FNO2 — CID 64731894

IUPAC1-[(3,5-dimethylcyclohexyl)amino]-3-(2-fluorophenoxy)propan-2-ol
SMILESCC1CC(C)CC(NCC(O)COc2ccccc2F)C1
InChIInChI=1S/C17H26FNO2/c1-12-7-13(2)9-14(8-12)19-10-15(20)11-21-17-6-4-3-5-16(17)18/h3-6,12-15,19-20H,7-11H2,1-2H3
InChIKeyYMJJVWFAXMCEBT-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.98
Rot. Bonds6

About 1-[(3,5-dimethylcyclohexyl)amino]-3-(2-fluorophenoxy)propan-2-ol

1-[(3,5-dimethylcyclohexyl)amino]-3-(2-fluorophenoxy)propan-2-ol (PubChem CID 64731894) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[(3,5-dimethylcyclohexyl)amino]-3-(2-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(3,5-dimethylcyclohexyl)amino]-3-(2-fluorophenoxy)propan-2-ol
PubChem CID64731894
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name1-[(3,5-dimethylcyclohexyl)amino]-3-(2-fluorophenoxy)propan-2-ol
SMILESCC1CC(C)CC(NCC(O)COc2ccccc2F)C1
InChIInChI=1S/C17H26FNO2/c1-12-7-13(2)9-14(8-12)19-10-15(20)11-21-17-6-4-3-5-16(17)18/h3-6,12-15,19-20H,7-11H2,1-2H3
InChIKeyYMJJVWFAXMCEBT-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol
CID 27044185
2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol
CID 62359837
1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol
CID 81395407
1-[(3-methylcyclobutyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 113467204
1-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635358
1-(2,3-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 64569714
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 62332238
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64910592
methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904476
1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 45126222

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylcyclohexyl)amino]-3-(2-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-[(3,5-dimethylcyclohexyl)amino]-3-(2-fluorophenoxy)propan-2-ol (CID 64731894) is 1-[(3,5-dimethylcyclohexyl)amino]-3-(2-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-[(3,5-dimethylcyclohexyl)amino]-3-(2-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-[(3,5-dimethylcyclohexyl)amino]-3-(2-fluorophenoxy)propan-2-ol is CC1CC(C)CC(NCC(O)COc2ccccc2F)C1.
What is the InChIKey of 1-[(3,5-dimethylcyclohexyl)amino]-3-(2-fluorophenoxy)propan-2-ol?
The InChIKey is YMJJVWFAXMCEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-12-7-13(2)9-14(8-12)19-10-15(20)11-21-17-6-4-3-5-16(17)18/h3-6,12-15,19-20H,7-11H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylcyclohexyl)amino]-3-(2-fluorophenoxy)propan-2-ol?
1-[(3,5-dimethylcyclohexyl)amino]-3-(2-fluorophenoxy)propan-2-ol has a molecular weight of 295.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylcyclohexyl)amino]-3-(2-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 64731894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).