3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol

C15H22FNO — CID 113243257

IUPAC3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1ccc(F)c(CNCC2CCCC(O)C2)c1
InChIInChI=1S/C15H22FNO/c1-11-5-6-15(16)13(7-11)10-17-9-12-3-2-4-14(18)8-12/h5-7,12,14,17-18H,2-4,8-10H2,1H3
InChIKeyJJBSHXIOAZOQBC-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.77
Rot. Bonds4

About 3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol

3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 113243257) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID113243257
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1ccc(F)c(CNCC2CCCC(O)C2)c1
InChIInChI=1S/C15H22FNO/c1-11-5-6-15(16)13(7-11)10-17-9-12-3-2-4-14(18)8-12/h5-7,12,14,17-18H,2-4,8-10H2,1H3
InChIKeyJJBSHXIOAZOQBC-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2,4-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699981
3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699998
3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699917
3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699898
1-(2-fluoro-5-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111473171
3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147754
3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699874
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 103733972
3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699903
4-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 106468033
3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699808
3-[[(2-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270976

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol (CID 113243257) is 3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol is Cc1ccc(F)c(CNCC2CCCC(O)C2)c1.
What is the InChIKey of 3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is JJBSHXIOAZOQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11-5-6-15(16)13(7-11)10-17-9-12-3-2-4-14(18)8-12/h5-7,12,14,17-18H,2-4,8-10H2,1H3.
What are the key properties of 3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol?
3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 251.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 113243257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).