2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol

C16H25NO — CID 64927033

IUPAC2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1cc(C)cc(CNCC2CCCCC2O)c1
InChIInChI=1S/C16H25NO/c1-12-7-13(2)9-14(8-12)10-17-11-15-5-3-4-6-16(15)18/h7-9,15-18H,3-6,10-11H2,1-2H3
InChIKeyGVBYPALWRLABAT-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.94
Rot. Bonds4

About 2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol

2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 64927033) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID64927033
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1cc(C)cc(CNCC2CCCCC2O)c1
InChIInChI=1S/C16H25NO/c1-12-7-13(2)9-14(8-12)10-17-11-15-5-3-4-6-16(15)18/h7-9,15-18H,3-6,10-11H2,1-2H3
InChIKeyGVBYPALWRLABAT-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

N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456073
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107417631
N-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine
CID 46231501
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721
trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride
CID 12651711
trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol
CID 13427956
2-[(benzylamino)methyl]cycloheptan-1-ol
CID 13427953
3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699898
3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270774
2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927668
2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 64927615
2-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 115282883

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol (CID 64927033) is 2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol is Cc1cc(C)cc(CNCC2CCCCC2O)c1.
What is the InChIKey of 2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is GVBYPALWRLABAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-7-13(2)9-14(8-12)10-17-11-15-5-3-4-6-16(15)18/h7-9,15-18H,3-6,10-11H2,1-2H3.
What are the key properties of 2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol?
2-[[(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 2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64927033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).