3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol

C16H25NO — CID 103699898

IUPAC3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1cc(C)cc(CNCC2CCCC(O)C2)c1
InChIInChI=1S/C16H25NO/c1-12-6-13(2)8-15(7-12)11-17-10-14-4-3-5-16(18)9-14/h6-8,14,16-18H,3-5,9-11H2,1-2H3
InChIKeyZFZBNMNHCCHXMX-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.94
Rot. Bonds4

About 3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol

3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 103699898) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID103699898
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1cc(C)cc(CNCC2CCCC(O)C2)c1
InChIInChI=1S/C16H25NO/c1-12-6-13(2)8-15(7-12)11-17-10-14-4-3-5-16(18)9-14/h6-8,14,16-18H,3-5,9-11H2,1-2H3
InChIKeyZFZBNMNHCCHXMX-UHFFFAOYSA-N
XLogP2.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270774
N-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine
CID 46231501
3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 111467497
3-[[(2,4-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699981
1-(3-chlorocyclopentyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
CID 106120912
3-[[(3-methylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270659
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417631
3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 113243257
3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699808
3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol
CID 106132031
3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 103699801
3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699915

Frequently Asked Questions

What is the IUPAC name of 3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol (CID 103699898) is 3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol is Cc1cc(C)cc(CNCC2CCCC(O)C2)c1.
What is the InChIKey of 3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is ZFZBNMNHCCHXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-6-13(2)8-15(7-12)11-17-10-14-4-3-5-16(18)9-14/h6-8,14,16-18H,3-5,9-11H2,1-2H3.
What are the key properties of 3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol?
3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103699898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).