2-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-4-methoxyphenol

C17H27NO3 — CID 103965826

IUPAC2-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)NCC2(CO)CCCCC2)c1
InChIInChI=1S/C17H27NO3/c1-13(15-10-14(21-2)6-7-16(15)20)18-11-17(12-19)8-4-3-5-9-17/h6-7,10,13,18-20H,3-5,8-9,11-12H2,1-2H3
InChIKeyHZOMURDPQUVWAW-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.99
Rot. Bonds6

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

2-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-4-methoxyphenol (PubChem CID 103965826) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-4-methoxyphenol
PubChem CID103965826
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)NCC2(CO)CCCCC2)c1
InChIInChI=1S/C17H27NO3/c1-13(15-10-14(21-2)6-7-16(15)20)18-11-17(12-19)8-4-3-5-9-17/h6-7,10,13,18-20H,3-5,8-9,11-12H2,1-2H3
InChIKeyHZOMURDPQUVWAW-UHFFFAOYSA-N
XLogP2.99
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.99
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-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358422
2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol
CID 65107155
2-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]-4-methoxyphenol
CID 65115330
[1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol
CID 81419393
2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]-1-piperidin-1-ylethanone
CID 115900760
5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol
CID 115358531
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115701396
2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-4-methoxyphenol
CID 64927300
2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol
CID 16775145
5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
CID 113429442
4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol
CID 43189507
2-[1-(but-2-ynylamino)ethyl]-4-methoxyphenol
CID 115900748

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-4-methoxyphenol?
The IUPAC name of 2-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-4-methoxyphenol (CID 103965826) is 2-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-4-methoxyphenol?
The canonical SMILES for 2-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-4-methoxyphenol is COc1ccc(O)c(C(C)NCC2(CO)CCCCC2)c1.
What is the InChIKey of 2-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-4-methoxyphenol?
The InChIKey is HZOMURDPQUVWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(15-10-14(21-2)6-7-16(15)20)18-11-17(12-19)8-4-3-5-9-17/h6-7,10,13,18-20H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 2-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-4-methoxyphenol?
2-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-4-methoxyphenol has a molecular weight of 293.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-4-methoxyphenol is sourced from PubChem (CID 103965826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).