2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-4-methoxyphenol

C16H25NO3 — CID 64927300

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

About 2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-4-methoxyphenol

2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-4-methoxyphenol (PubChem CID 64927300) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-4-methoxyphenol
PubChem CID64927300
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)NCC2CCCCC2O)c1
InChIInChI=1S/C16H25NO3/c1-11(14-9-13(20-2)7-8-16(14)19)17-10-12-5-3-4-6-15(12)18/h7-9,11-12,15,17-19H,3-6,10H2,1-2H3
InChIKeyMQVRLCKZQXJFEJ-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'}

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Related Compounds

2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol
CID 64928670
2-[1-(2-bicyclo[2.2.1]heptanylmethylamino)ethyl]-4-methoxyphenol
CID 63682765
2-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
CID 64928817
2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 64911532
2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol
CID 65107155
2-[1-(but-2-ynylamino)ethyl]-4-methoxyphenol
CID 115900748
4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol
CID 43189507
2-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-4-methoxyphenol
CID 103965826
2-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]-4-methoxyphenol
CID 65115330
2-[1-[(2-hydroxycyclohexyl)amino]ethyl]-5-methoxyphenol
CID 55064076
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754
2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]-1-piperidin-1-ylethanone
CID 115900760

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-4-methoxyphenol?
The IUPAC name of 2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-4-methoxyphenol (CID 64927300) is 2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-4-methoxyphenol?
The canonical SMILES for 2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-4-methoxyphenol is COc1ccc(O)c(C(C)NCC2CCCCC2O)c1.
What is the InChIKey of 2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-4-methoxyphenol?
The InChIKey is MQVRLCKZQXJFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11(14-9-13(20-2)7-8-16(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]-4-methoxyphenol?
2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-4-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]-4-methoxyphenol is sourced from PubChem (CID 64927300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).