2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol

C16H25NO3 — CID 64928670

IUPAC2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)NCC2CCCCC2O)c(O)c1
InChIInChI=1S/C16H25NO3/c1-11(14-8-7-13(20-2)9-16(14)19)17-10-12-5-3-4-6-15(12)18/h7-9,11-12,15,17-19H,3-6,10H2,1-2H3
InChIKeyDTRCLCZGZGWPJB-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.60
Rot. Bonds5

About 2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol

2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol (PubChem CID 64928670) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol
PubChem CID64928670
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)NCC2CCCCC2O)c(O)c1
InChIInChI=1S/C16H25NO3/c1-11(14-8-7-13(20-2)9-16(14)19)17-10-12-5-3-4-6-15(12)18/h7-9,11-12,15,17-19H,3-6,10H2,1-2H3
InChIKeyDTRCLCZGZGWPJB-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-4-methoxyphenol
CID 64927300
5-methoxy-2-[1-(oxan-4-ylmethylamino)ethyl]phenol
CID 63727270
2-[1-[(2-hydroxycyclohexyl)amino]ethyl]-5-methoxyphenol
CID 55064076
5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol
CID 54931708
2-[1-(cycloheptylamino)ethyl]-5-methoxyphenol
CID 43202473
2-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
CID 64928817
2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
CID 104583670
2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide
CID 43200366
5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
CID 113429442
2-[1-[(2,6-dimethylpiperidin-1-yl)amino]ethyl]-5-methoxyphenol
CID 83007109
5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
CID 43201039
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol?
The IUPAC name of 2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol (CID 64928670) is 2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol is COc1ccc(C(C)NCC2CCCCC2O)c(O)c1.
What is the InChIKey of 2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol?
The InChIKey is DTRCLCZGZGWPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11(14-8-7-13(20-2)9-16(14)19)17-10-12-5-3-4-6-15(12)18/h7-9,11-12,15,17-19H,3-6,10H2,1-2H3.
What are the key properties of 2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol?
2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol has a molecular weight of 279.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol is sourced from PubChem (CID 64928670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).