4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol

C16H25NO2 — CID 106126443

IUPAC4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1ccc(C)cc1CNCC1CCC(O)CC1
InChIInChI=1S/C16H25NO2/c1-12-3-8-16(19-2)14(9-12)11-17-10-13-4-6-15(18)7-5-13/h3,8-9,13,15,17-18H,4-7,10-11H2,1-2H3
InChIKeyDTNZVZFCFQZGCQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.64
Rot. Bonds5

About 4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol

4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 106126443) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID106126443
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1ccc(C)cc1CNCC1CCC(O)CC1
InChIInChI=1S/C16H25NO2/c1-12-3-8-16(19-2)14(9-12)11-17-10-13-4-6-15(18)7-5-13/h3,8-9,13,15,17-18H,4-7,10-11H2,1-2H3
InChIKeyDTNZVZFCFQZGCQ-UHFFFAOYSA-N
XLogP2.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106125148
4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126796
N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 106121802
4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
CID 43406651
N-[(2-methoxy-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 54931616
3-[[(4-hydroxycyclohexyl)methylamino]methyl]-4-methoxybenzonitrile
CID 106133266
3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270829
N-[(2-methoxy-5-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 113227161
2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 115592635
4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213425
N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 46823346
1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115646

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol (CID 106126443) is 4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol is COc1ccc(C)cc1CNCC1CCC(O)CC1.
What is the InChIKey of 4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is DTNZVZFCFQZGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-3-8-16(19-2)14(9-12)11-17-10-13-4-6-15(18)7-5-13/h3,8-9,13,15,17-18H,4-7,10-11H2,1-2H3.
What are the key properties of 4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol?
4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106126443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).