4-[[4-(2-aminoethoxy)-2,6-dimethylphenyl]methyl]phenol

C17H21NO2 — CID 162653832

IUPAC4-[[4-(2-aminoethoxy)-2,6-dimethylphenyl]methyl]phenol
SMILESCc1cc(OCCN)cc(C)c1Cc1ccc(O)cc1
InChIInChI=1S/C17H21NO2/c1-12-9-16(20-8-7-18)10-13(2)17(12)11-14-3-5-15(19)6-4-14/h3-6,9-10,19H,7-8,11,18H2,1-2H3
InChIKeyHFGJJSCNOPKUGS-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.94
Rot. Bonds5

About 4-[[4-(2-aminoethoxy)-2,6-dimethylphenyl]methyl]phenol

4-[[4-(2-aminoethoxy)-2,6-dimethylphenyl]methyl]phenol (PubChem CID 162653832) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[[4-(2-aminoethoxy)-2,6-dimethylphenyl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-(2-aminoethoxy)-2,6-dimethylphenyl]methyl]phenol
PubChem CID162653832
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[[4-(2-aminoethoxy)-2,6-dimethylphenyl]methyl]phenol
SMILESCc1cc(OCCN)cc(C)c1Cc1ccc(O)cc1
InChIInChI=1S/C17H21NO2/c1-12-9-16(20-8-7-18)10-13(2)17(12)11-14-3-5-15(19)6-4-14/h3-6,9-10,19H,7-8,11,18H2,1-2H3
InChIKeyHFGJJSCNOPKUGS-UHFFFAOYSA-N
XLogP2.94
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy]acetic acid
CID 162661242
2-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-phenylmethoxybenzene
CID 68866864
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
propyl 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetate
CID 122498822
1-amino-3-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]propan-2-one
CID 159565620
4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
CID 164607051
4-[[4-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-2,6-dimethylphenol
CID 88656560
4-[(4-aminooxyphenyl)methyl]phenol
CID 122683282
4-[[4-[[ethoxy(methyl)phosphoryl]methyl]-2,6-dimethylphenyl]methyl]phenol
CID 68957718
[4-[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenoxy]methylphosphonic acid
CID 25150124
4-[[4-(2-aminoethoxy)phenyl]-cyclohexylidenemethyl]phenol
CID 23728510
1-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]butan-2-one
CID 159245963

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-aminoethoxy)-2,6-dimethylphenyl]methyl]phenol?
The IUPAC name of 4-[[4-(2-aminoethoxy)-2,6-dimethylphenyl]methyl]phenol (CID 162653832) is 4-[[4-(2-aminoethoxy)-2,6-dimethylphenyl]methyl]phenol.
What is the SMILES notation for 4-[[4-(2-aminoethoxy)-2,6-dimethylphenyl]methyl]phenol?
The canonical SMILES for 4-[[4-(2-aminoethoxy)-2,6-dimethylphenyl]methyl]phenol is Cc1cc(OCCN)cc(C)c1Cc1ccc(O)cc1.
What is the InChIKey of 4-[[4-(2-aminoethoxy)-2,6-dimethylphenyl]methyl]phenol?
The InChIKey is HFGJJSCNOPKUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-9-16(20-8-7-18)10-13(2)17(12)11-14-3-5-15(19)6-4-14/h3-6,9-10,19H,7-8,11,18H2,1-2H3.
What are the key properties of 4-[[4-(2-aminoethoxy)-2,6-dimethylphenyl]methyl]phenol?
4-[[4-(2-aminoethoxy)-2,6-dimethylphenyl]methyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-aminoethoxy)-2,6-dimethylphenyl]methyl]phenol is sourced from PubChem (CID 162653832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).