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

C17H26FNO — CID 115997052

IUPAC3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(CN(C)C1CCCCC1)C(O)c1ccccc1F
InChIInChI=1S/C17H26FNO/c1-13(12-19(2)14-8-4-3-5-9-14)17(20)15-10-6-7-11-16(15)18/h6-7,10-11,13-14,17,20H,3-5,8-9,12H2,1-2H3
InChIKeySYPONROOLDKZRX-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.76
Rot. Bonds5

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

3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol (PubChem CID 115997052) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
PubChem CID115997052
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(CN(C)C1CCCCC1)C(O)c1ccccc1F
InChIInChI=1S/C17H26FNO/c1-13(12-19(2)14-8-4-3-5-9-14)17(20)15-10-6-7-11-16(15)18/h6-7,10-11,13-14,17,20H,3-5,8-9,12H2,1-2H3
InChIKeySYPONROOLDKZRX-UHFFFAOYSA-N
XLogP3.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclohexylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997137
N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115996703
3-[cyclobutylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679956
3-[cyclobutyl(3-hydroxypropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 102871115
3-[cyclopropyl(ethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679918
N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 16786425
1-(2-fluorophenyl)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 115997198
3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997084
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997146
N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62618384
2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol
CID 82217055
1-(2-fluorophenyl)-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol
CID 115997188

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol (CID 115997052) is 3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol is CC(CN(C)C1CCCCC1)C(O)c1ccccc1F.
What is the InChIKey of 3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The InChIKey is SYPONROOLDKZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-13(12-19(2)14-8-4-3-5-9-14)17(20)15-10-6-7-11-16(15)18/h6-7,10-11,13-14,17,20H,3-5,8-9,12H2,1-2H3.
What are the key properties of 3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol?
3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol has a molecular weight of 279.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 115997052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).