1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol

C15H22FNO — CID 65115406

IUPAC1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCc2ccccc2F)CC1
InChIInChI=1S/C15H22FNO/c1-12-6-8-15(18,9-7-12)11-17-10-13-4-2-3-5-14(13)16/h2-5,12,17-18H,6-11H2,1H3
InChIKeyLJEWQNZQZLITDT-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.86
Rot. Bonds4

About 1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol

1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 65115406) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
PubChem CID65115406
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCc2ccccc2F)CC1
InChIInChI=1S/C15H22FNO/c1-12-6-8-15(18,9-7-12)11-17-10-13-4-2-3-5-14(13)16/h2-5,12,17-18H,6-11H2,1H3
InChIKeyLJEWQNZQZLITDT-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115762
2-(2-fluorophenyl)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65119061
1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115701
1-[[(4-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65117845
1-[[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65116017
1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115525
4-methyl-1-[[(1-methylindol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 107235815
1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822886
[1-[[(2-fluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478431
2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 112606953
1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115558
4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 65116294

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol (CID 65115406) is 1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNCc2ccccc2F)CC1.
What is the InChIKey of 1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is LJEWQNZQZLITDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-12-6-8-15(18,9-7-12)11-17-10-13-4-2-3-5-14(13)16/h2-5,12,17-18H,6-11H2,1H3.
What are the key properties of 1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol?
1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 251.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65115406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).