1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol

C14H20FNO — CID 17442249

IUPAC1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCc2ccc(F)cc2)CCCCC1
InChIInChI=1S/C14H20FNO/c15-13-6-4-12(5-7-13)10-16-11-14(17)8-2-1-3-9-14/h4-7,16-17H,1-3,8-11H2
InChIKeyHCLMCNLAHQDUJB-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.61
Rot. Bonds4

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

1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 17442249) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID17442249
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCc2ccc(F)cc2)CCCCC1
InChIInChI=1S/C14H20FNO/c15-13-6-4-12(5-7-13)10-16-11-14(17)8-2-1-3-9-14/h4-7,16-17H,1-3,8-11H2
InChIKeyHCLMCNLAHQDUJB-UHFFFAOYSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol
CID 126846834
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol
CID 119108451
1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 62538939
1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114566
1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866735
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
1-[(1H-pyrrol-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 66410082
1-[[(3,5-difluoro-4-hydroxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 79831783
1-[[(4-trimethylsilylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103437869
N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide
CID 62865493
1-[[(4-phenylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621532

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol (CID 17442249) is 1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol is OC1(CNCc2ccc(F)cc2)CCCCC1.
What is the InChIKey of 1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is HCLMCNLAHQDUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c15-13-6-4-12(5-7-13)10-16-11-14(17)8-2-1-3-9-14/h4-7,16-17H,1-3,8-11H2.
What are the key properties of 1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol?
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 237.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 17442249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).