1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride

C16H24ClFNO2- — CID 53350472

IUPAC1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride
SMILESCN(CC(O)COc1ccccc1F)C1CCCCC1.[Cl-]
InChIInChI=1S/C16H24FNO2.ClH/c1-18(13-7-3-2-4-8-13)11-14(19)12-20-16-10-6-5-9-15(16)17;/h5-6,9-10,13-14,19H,2-4,7-8,11-12H2,1H3;1H/p-1
InChIKeyGSBHLBHUKTXVCA-UHFFFAOYSA-M
MW316.82 g/mol
LogP-0.17
Rot. Bonds6

About 1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride

1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride (PubChem CID 53350472) has the molecular formula C16H24ClFNO2- and a molecular weight of 316.82 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride.

Molecular Properties

Compound Name1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride
PubChem CID53350472
Molecular FormulaC16H24ClFNO2-
Molecular Weight316.82 g/mol
Exact Mass316.15
IUPAC Name1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride
SMILESCN(CC(O)COc1ccccc1F)C1CCCCC1.[Cl-]
InChIInChI=1S/C16H24FNO2.ClH/c1-18(13-7-3-2-4-8-13)11-14(19)12-20-16-10-6-5-9-15(16)17;/h5-6,9-10,13-14,19H,2-4,7-8,11-12H2,1H3;1H/p-1
InChIKeyGSBHLBHUKTXVCA-UHFFFAOYSA-M
XLogP-0.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.82
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride
CID 46863798
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 2919622
1-[cyclohexyl(methyl)amino]-3-[2-[(4-methylpiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 45200049
1-[cyclohexyl(methyl)amino]-3-[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol
CID 45210215
(2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 8741472
1-(2-bromophenoxy)-3-(dicyclohexylamino)propan-2-ol
CID 2916524
1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 111488940
1-[cyclohexyl(methyl)amino]-3-[2-[(2-piperidin-1-ylethylamino)methyl]phenoxy]propan-2-ol
CID 45169097
1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 3416827
1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol
CID 81395407
(2S)-1-[cyclohexyl(methyl)amino]-3-[2-[[prop-2-enyl(prop-2-ynyl)amino]methyl]phenoxy]propan-2-ol
CID 42362650

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride?
The IUPAC name of 1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride (CID 53350472) is 1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride.
What is the SMILES notation for 1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride?
The canonical SMILES for 1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride is CN(CC(O)COc1ccccc1F)C1CCCCC1.[Cl-].
What is the InChIKey of 1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride?
The InChIKey is GSBHLBHUKTXVCA-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H24FNO2.ClH/c1-18(13-7-3-2-4-8-13)11-14(19)12-20-16-10-6-5-9-15(16)17;/h5-6,9-10,13-14,19H,2-4,7-8,11-12H2,1H3;1H/p-1.
What are the key properties of 1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride?
1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride has a molecular weight of 316.82 g/mol, XLogP of -0.17, 6 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-fluorophenoxy)propan-2-ol chloride is sourced from PubChem (CID 53350472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).