4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol

C17H21NO2 — CID 115952579

IUPAC4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol
SMILESCCNCc1cccc(C)c1OCc1ccc(O)cc1
InChIInChI=1S/C17H21NO2/c1-3-18-11-15-6-4-5-13(2)17(15)20-12-14-7-9-16(19)10-8-14/h4-10,18-19H,3,11-12H2,1-2H3
InChIKeyNEGXKESUKOQRLM-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.39
Rot. Bonds6

About 4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol

4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol (PubChem CID 115952579) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol.

Molecular Properties

Compound Name4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol
PubChem CID115952579
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol
SMILESCCNCc1cccc(C)c1OCc1ccc(O)cc1
InChIInChI=1S/C17H21NO2/c1-3-18-11-15-6-4-5-13(2)17(15)20-12-14-7-9-16(19)10-8-14/h4-10,18-19H,3,11-12H2,1-2H3
InChIKeyNEGXKESUKOQRLM-UHFFFAOYSA-N
XLogP3.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
4-[[2-(bromomethyl)-6-methylphenoxy]methyl]phenol
CID 112614206
N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952657
3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol
CID 115952789
N-[[2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 104796465
2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile
CID 115952624
N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112609118
N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine
CID 112609046
2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile
CID 112609123
N-[[3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 112609048
N-[[3-methyl-2-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 112609072
2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine
CID 112610278

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol?
The IUPAC name of 4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol (CID 115952579) is 4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol.
What is the SMILES notation for 4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol?
The canonical SMILES for 4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol is CCNCc1cccc(C)c1OCc1ccc(O)cc1.
What is the InChIKey of 4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol?
The InChIKey is NEGXKESUKOQRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-18-11-15-6-4-5-13(2)17(15)20-12-14-7-9-16(19)10-8-14/h4-10,18-19H,3,11-12H2,1-2H3.
What are the key properties of 4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol?
4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol is sourced from PubChem (CID 115952579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).