4-methoxy-2-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol

C18H29NO2 — CID 43710025

IUPAC4-methoxy-2-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
SMILESCOc1ccc(O)c(CNC2CC(C)CCC2C(C)C)c1
InChIInChI=1S/C18H29NO2/c1-12(2)16-7-5-13(3)9-17(16)19-11-14-10-15(21-4)6-8-18(14)20/h6,8,10,12-13,16-17,19-20H,5,7,9,11H2,1-4H3
InChIKeyPOOBLYSTILZVPS-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.95
Rot. Bonds5

About 4-methoxy-2-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol

4-methoxy-2-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol (PubChem CID 43710025) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-methoxy-2-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
PubChem CID43710025
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name4-methoxy-2-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
SMILESCOc1ccc(O)c(CNC2CC(C)CCC2C(C)C)c1
InChIInChI=1S/C18H29NO2/c1-12(2)16-7-5-13(3)9-17(16)19-11-14-10-15(21-4)6-8-18(14)20/h6,8,10,12-13,16-17,19-20H,5,7,9,11H2,1-4H3
InChIKeyPOOBLYSTILZVPS-UHFFFAOYSA-N
XLogP3.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methoxy-2-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol with MolForge

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Related Compounds

4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107411546
N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710191
2-methyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 115951249
2-fluoro-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 115951251
4-fluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 107694535
4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
CID 28717433
N-[(2,6-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710184
N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 2728111
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-4-methoxyphenol
CID 43694220
2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-4-methoxyphenol
CID 83007608
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 115651792
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 81382365

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 4-methoxy-2-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol (CID 43710025) is 4-methoxy-2-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol is COc1ccc(O)c(CNC2CC(C)CCC2C(C)C)c1.
What is the InChIKey of 4-methoxy-2-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol?
The InChIKey is POOBLYSTILZVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12(2)16-7-5-13(3)9-17(16)19-11-14-10-15(21-4)6-8-18(14)20/h6,8,10,12-13,16-17,19-20H,5,7,9,11H2,1-4H3.
What are the key properties of 4-methoxy-2-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol?
4-methoxy-2-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol has a molecular weight of 291.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 43710025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).