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

C18H28FNO — CID 115997137

IUPAC3-[cyclohexylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(CN(C)CC1CCCCC1)C(O)c1ccccc1F
InChIInChI=1S/C18H28FNO/c1-14(18(21)16-10-6-7-11-17(16)19)12-20(2)13-15-8-4-3-5-9-15/h6-7,10-11,14-15,18,21H,3-5,8-9,12-13H2,1-2H3
InChIKeyFUPPSVSPEMHNHL-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.01
Rot. Bonds6

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

3-[cyclohexylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol (PubChem CID 115997137) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 3-[cyclohexylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[cyclohexylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
PubChem CID115997137
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name3-[cyclohexylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(CN(C)CC1CCCCC1)C(O)c1ccccc1F
InChIInChI=1S/C18H28FNO/c1-14(18(21)16-10-6-7-11-17(16)19)12-20(2)13-15-8-4-3-5-9-15/h6-7,10-11,14-15,18,21H,3-5,8-9,12-13H2,1-2H3
InChIKeyFUPPSVSPEMHNHL-UHFFFAOYSA-N
XLogP4.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclobutylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679956
3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997052
1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol
CID 111456975
1-(2-fluorophenyl)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 115997198
3-[cyclopropyl(ethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679918
1-(2-fluorophenyl)-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol
CID 115997188
3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997084
3-[cyclobutyl(3-hydroxypropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 102871115
3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 112586409
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997146
2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol
CID 103670661
N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63633032

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-[cyclohexylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol (CID 115997137) is 3-[cyclohexylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-[cyclohexylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-[cyclohexylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol is CC(CN(C)CC1CCCCC1)C(O)c1ccccc1F.
What is the InChIKey of 3-[cyclohexylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The InChIKey is FUPPSVSPEMHNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-14(18(21)16-10-6-7-11-17(16)19)12-20(2)13-15-8-4-3-5-9-15/h6-7,10-11,14-15,18,21H,3-5,8-9,12-13H2,1-2H3.
What are the key properties of 3-[cyclohexylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol?
3-[cyclohexylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol has a molecular weight of 293.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 115997137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).