1-[cyclohexyl(methyl)amino]-3-[(2-fluorophenyl)methoxy]propan-2-ol

C17H26FNO2 — CID 4963132

IUPAC1-[cyclohexyl(methyl)amino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
SMILESCN(CC(O)COCc1ccccc1F)C1CCCCC1
InChIInChI=1S/C17H26FNO2/c1-19(15-8-3-2-4-9-15)11-16(20)13-21-12-14-7-5-6-10-17(14)18/h5-7,10,15-16,20H,2-4,8-9,11-13H2,1H3
InChIKeyBSICEDXWGRDIRH-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.97
Rot. Bonds7

About 1-[cyclohexyl(methyl)amino]-3-[(2-fluorophenyl)methoxy]propan-2-ol

1-[cyclohexyl(methyl)amino]-3-[(2-fluorophenyl)methoxy]propan-2-ol (PubChem CID 4963132) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)amino]-3-[(2-fluorophenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-[cyclohexyl(methyl)amino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
PubChem CID4963132
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name1-[cyclohexyl(methyl)amino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
SMILESCN(CC(O)COCc1ccccc1F)C1CCCCC1
InChIInChI=1S/C17H26FNO2/c1-19(15-8-3-2-4-9-15)11-16(20)13-21-12-14-7-5-6-10-17(14)18/h5-7,10,15-16,20H,2-4,8-9,11-13H2,1H3
InChIKeyBSICEDXWGRDIRH-UHFFFAOYSA-N
XLogP2.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(methyl)amino]-3-[(2-fluorophenyl)methoxy]propan-2-ol?
The IUPAC name of 1-[cyclohexyl(methyl)amino]-3-[(2-fluorophenyl)methoxy]propan-2-ol (CID 4963132) is 1-[cyclohexyl(methyl)amino]-3-[(2-fluorophenyl)methoxy]propan-2-ol.
What is the SMILES notation for 1-[cyclohexyl(methyl)amino]-3-[(2-fluorophenyl)methoxy]propan-2-ol?
The canonical SMILES for 1-[cyclohexyl(methyl)amino]-3-[(2-fluorophenyl)methoxy]propan-2-ol is CN(CC(O)COCc1ccccc1F)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl(methyl)amino]-3-[(2-fluorophenyl)methoxy]propan-2-ol?
The InChIKey is BSICEDXWGRDIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-19(15-8-3-2-4-9-15)11-16(20)13-21-12-14-7-5-6-10-17(14)18/h5-7,10,15-16,20H,2-4,8-9,11-13H2,1H3.
What are the key properties of 1-[cyclohexyl(methyl)amino]-3-[(2-fluorophenyl)methoxy]propan-2-ol?
1-[cyclohexyl(methyl)amino]-3-[(2-fluorophenyl)methoxy]propan-2-ol has a molecular weight of 295.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(methyl)amino]-3-[(2-fluorophenyl)methoxy]propan-2-ol is sourced from PubChem (CID 4963132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).