[1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol

C16H24FNO — CID 112697662

IUPAC[1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol
SMILESCc1cc(F)ccc1CNCC1(CO)CCCCC1
InChIInChI=1S/C16H24FNO/c1-13-9-15(17)6-5-14(13)10-18-11-16(12-19)7-3-2-4-8-16/h5-6,9,18-19H,2-4,7-8,10-12H2,1H3
InChIKeyMMSWBNCWQOSGRF-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.17
Rot. Bonds5

About [1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol

[1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol (PubChem CID 112697662) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is [1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol
PubChem CID112697662
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name[1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol
SMILESCc1cc(F)ccc1CNCC1(CO)CCCCC1
InChIInChI=1S/C16H24FNO/c1-13-9-15(17)6-5-14(13)10-18-11-16(12-19)7-3-2-4-8-16/h5-6,9,18-19H,2-4,7-8,10-12H2,1H3
InChIKeyMMSWBNCWQOSGRF-UHFFFAOYSA-N
XLogP3.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 81418469
4-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-3-methylbenzonitrile
CID 114480615
[1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246948
[1-[[(5-fluoro-2-nitrophenyl)methylamino]methyl]cyclohexyl]methanol
CID 103966376
[1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246983
[3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 114349812
2-[[(1-ethylcyclopentyl)methylamino]methyl]-4-fluorophenol
CID 103949020
3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol
CID 113337855
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 106817065
N-[[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 114348910
[1-[[(2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358929
[1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol
CID 115683825

Frequently Asked Questions

What is the IUPAC name of [1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol (CID 112697662) is [1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol is Cc1cc(F)ccc1CNCC1(CO)CCCCC1.
What is the InChIKey of [1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol?
The InChIKey is MMSWBNCWQOSGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-13-9-15(17)6-5-14(13)10-18-11-16(12-19)7-3-2-4-8-16/h5-6,9,18-19H,2-4,7-8,10-12H2,1H3.
What are the key properties of [1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol?
[1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol has a molecular weight of 265.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 112697662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).