2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol

C16H25NO3 — CID 62526041

IUPAC2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNC2(CO)CCC(C)CC2)c1
InChIInChI=1S/C16H25NO3/c1-12-5-7-16(11-18,8-6-12)17-10-13-9-14(20-2)3-4-15(13)19/h3-4,9,12,17-19H,5-8,10-11H2,1-2H3
InChIKeyQPYGDRIVAGRNTH-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.43
Rot. Bonds5

About 2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol

2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol (PubChem CID 62526041) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol
PubChem CID62526041
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNC2(CO)CCC(C)CC2)c1
InChIInChI=1S/C16H25NO3/c1-12-5-7-16(11-18,8-6-12)17-10-13-9-14(20-2)3-4-15(13)19/h3-4,9,12,17-19H,5-8,10-11H2,1-2H3
InChIKeyQPYGDRIVAGRNTH-UHFFFAOYSA-N
XLogP2.43
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

[1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62552157
4-chloro-2-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]phenol
CID 62552329
2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol
CID 83229458
4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107411546
[4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol
CID 62552810
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(3-methoxyphenyl)ethanol
CID 81134310
4-chloro-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol
CID 115733344
2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-4-methoxyphenol
CID 83007608
4-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]phenol
CID 115763018
2-[(2-hydroxy-5-methoxyphenyl)methylamino]propane-1,3-diol
CID 65310161
2,6-dibromo-4-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]phenol
CID 107740759
[1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 115968330

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol (CID 62526041) is 2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol is COc1ccc(O)c(CNC2(CO)CCC(C)CC2)c1.
What is the InChIKey of 2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol?
The InChIKey is QPYGDRIVAGRNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12-5-7-16(11-18,8-6-12)17-10-13-9-14(20-2)3-4-15(13)19/h3-4,9,12,17-19H,5-8,10-11H2,1-2H3.
What are the key properties of 2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol?
2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol has a molecular weight of 279.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol is sourced from PubChem (CID 62526041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).