[2-[cyclohexylmethyl(methyl)amino]-5-fluorophenyl]methanol

C15H22FNO — CID 61446000

IUPAC[2-[cyclohexylmethyl(methyl)amino]-5-fluorophenyl]methanol
SMILESCN(CC1CCCCC1)c1ccc(F)cc1CO
InChIInChI=1S/C15H22FNO/c1-17(10-12-5-3-2-4-6-12)15-8-7-14(16)9-13(15)11-18/h7-9,12,18H,2-6,10-11H2,1H3
InChIKeyRGIPPLZBRMJDNJ-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.33
Rot. Bonds4

About [2-[cyclohexylmethyl(methyl)amino]-5-fluorophenyl]methanol

[2-[cyclohexylmethyl(methyl)amino]-5-fluorophenyl]methanol (PubChem CID 61446000) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is [2-[cyclohexylmethyl(methyl)amino]-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-[cyclohexylmethyl(methyl)amino]-5-fluorophenyl]methanol
PubChem CID61446000
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name[2-[cyclohexylmethyl(methyl)amino]-5-fluorophenyl]methanol
SMILESCN(CC1CCCCC1)c1ccc(F)cc1CO
InChIInChI=1S/C15H22FNO/c1-17(10-12-5-3-2-4-6-12)15-8-7-14(16)9-13(15)11-18/h7-9,12,18H,2-6,10-11H2,1H3
InChIKeyRGIPPLZBRMJDNJ-UHFFFAOYSA-N
XLogP3.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol
CID 55175384
N-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 61446915
2-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-4-fluoro-N-methylaniline
CID 63071507
2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide
CID 63669000
[4-[cyclopentylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 81237899
[2-(cyclohexylmethoxy)-5-fluorophenyl]methanol
CID 107698568
[2-[cyclopropylmethyl(methyl)amino]phenyl]methanol
CID 60984636
4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline
CID 63713648
2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol
CID 54994152
1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol
CID 61446052
2-[4-fluoro-2-(hydroxymethyl)-N-methylanilino]-N,N-dimethylacetamide
CID 43375135
[4-[cyclopropylmethyl(methyl)amino]-3-fluorophenyl]methanol
CID 60984491

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexylmethyl(methyl)amino]-5-fluorophenyl]methanol?
The IUPAC name of [2-[cyclohexylmethyl(methyl)amino]-5-fluorophenyl]methanol (CID 61446000) is [2-[cyclohexylmethyl(methyl)amino]-5-fluorophenyl]methanol.
What is the SMILES notation for [2-[cyclohexylmethyl(methyl)amino]-5-fluorophenyl]methanol?
The canonical SMILES for [2-[cyclohexylmethyl(methyl)amino]-5-fluorophenyl]methanol is CN(CC1CCCCC1)c1ccc(F)cc1CO.
What is the InChIKey of [2-[cyclohexylmethyl(methyl)amino]-5-fluorophenyl]methanol?
The InChIKey is RGIPPLZBRMJDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-17(10-12-5-3-2-4-6-12)15-8-7-14(16)9-13(15)11-18/h7-9,12,18H,2-6,10-11H2,1H3.
What are the key properties of [2-[cyclohexylmethyl(methyl)amino]-5-fluorophenyl]methanol?
[2-[cyclohexylmethyl(methyl)amino]-5-fluorophenyl]methanol has a molecular weight of 251.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexylmethyl(methyl)amino]-5-fluorophenyl]methanol is sourced from PubChem (CID 61446000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).