[3-[4-(ethylaminomethyl)-3-methylphenoxy]phenyl]methanol

C17H21NO2 — CID 62129324

IUPAC[3-[4-(ethylaminomethyl)-3-methylphenoxy]phenyl]methanol
SMILESCCNCc1ccc(Oc2cccc(CO)c2)cc1C
InChIInChI=1S/C17H21NO2/c1-3-18-11-15-7-8-17(9-13(15)2)20-16-6-4-5-14(10-16)12-19/h4-10,18-19H,3,11-12H2,1-2H3
InChIKeyAZSMKJVGLYTULA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.39
Rot. Bonds6

About [3-[4-(ethylaminomethyl)-3-methylphenoxy]phenyl]methanol

[3-[4-(ethylaminomethyl)-3-methylphenoxy]phenyl]methanol (PubChem CID 62129324) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [3-[4-(ethylaminomethyl)-3-methylphenoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-[4-(ethylaminomethyl)-3-methylphenoxy]phenyl]methanol
PubChem CID62129324
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[3-[4-(ethylaminomethyl)-3-methylphenoxy]phenyl]methanol
SMILESCCNCc1ccc(Oc2cccc(CO)c2)cc1C
InChIInChI=1S/C17H21NO2/c1-3-18-11-15-7-8-17(9-13(15)2)20-16-6-4-5-14(10-16)12-19/h4-10,18-19H,3,11-12H2,1-2H3
InChIKeyAZSMKJVGLYTULA-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-methyl-4-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 55221832
N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221726
N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 62130842
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221727
N-[[4-(3,5-dichlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 63551836
N-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 63942314
N-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine
CID 63942334
N-[[2-methyl-4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]ethanamine
CID 116802284
N-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
CID 63943697
N-[[4-(4-bromo-2-methylphenoxy)-2-methylphenyl]methyl]ethanamine
CID 63552221
N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 167530793
2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine
CID 63552372

Frequently Asked Questions

What is the IUPAC name of [3-[4-(ethylaminomethyl)-3-methylphenoxy]phenyl]methanol?
The IUPAC name of [3-[4-(ethylaminomethyl)-3-methylphenoxy]phenyl]methanol (CID 62129324) is [3-[4-(ethylaminomethyl)-3-methylphenoxy]phenyl]methanol.
What is the SMILES notation for [3-[4-(ethylaminomethyl)-3-methylphenoxy]phenyl]methanol?
The canonical SMILES for [3-[4-(ethylaminomethyl)-3-methylphenoxy]phenyl]methanol is CCNCc1ccc(Oc2cccc(CO)c2)cc1C.
What is the InChIKey of [3-[4-(ethylaminomethyl)-3-methylphenoxy]phenyl]methanol?
The InChIKey is AZSMKJVGLYTULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-18-11-15-7-8-17(9-13(15)2)20-16-6-4-5-14(10-16)12-19/h4-10,18-19H,3,11-12H2,1-2H3.
What are the key properties of [3-[4-(ethylaminomethyl)-3-methylphenoxy]phenyl]methanol?
[3-[4-(ethylaminomethyl)-3-methylphenoxy]phenyl]methanol 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 [3-[4-(ethylaminomethyl)-3-methylphenoxy]phenyl]methanol is sourced from PubChem (CID 62129324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).