1-[4-(aminomethyl)phenyl]-2-(2,6-dimethylphenoxy)ethanol

C17H21NO2 — CID 43531485

IUPAC1-[4-(aminomethyl)phenyl]-2-(2,6-dimethylphenoxy)ethanol
SMILESCc1cccc(C)c1OCC(O)c1ccc(CN)cc1
InChIInChI=1S/C17H21NO2/c1-12-4-3-5-13(2)17(12)20-11-16(19)15-8-6-14(10-18)7-9-15/h3-9,16,19H,10-11,18H2,1-2H3
InChIKeyCJEGWCJWRYTCMK-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.87
Rot. Bonds5

About 1-[4-(aminomethyl)phenyl]-2-(2,6-dimethylphenoxy)ethanol

1-[4-(aminomethyl)phenyl]-2-(2,6-dimethylphenoxy)ethanol (PubChem CID 43531485) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-(2,6-dimethylphenoxy)ethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-(2,6-dimethylphenoxy)ethanol
PubChem CID43531485
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[4-(aminomethyl)phenyl]-2-(2,6-dimethylphenoxy)ethanol
SMILESCc1cccc(C)c1OCC(O)c1ccc(CN)cc1
InChIInChI=1S/C17H21NO2/c1-12-4-3-5-13(2)17(12)20-11-16(19)15-8-6-14(10-18)7-9-15/h3-9,16,19H,10-11,18H2,1-2H3
InChIKeyCJEGWCJWRYTCMK-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)phenyl]-2-methoxyethanol
CID 43531479
1-(4-ethylphenyl)-2-(2,4,6-trimethylphenoxy)ethanol
CID 63467021
1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol
CID 61229094
1-amino-3-(2,6-dimethylphenoxy)propan-2-ol;chloride;hydrate
CID 53314058
2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanamine
CID 43100320
1-[4-(aminomethyl)phenyl]propan-1-ol
CID 22716491
1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol
CID 112607256
1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol
CID 43554706
3-(2,6-dimethylphenoxy)-1-phenylpropan-1-ol
CID 116693276
2-(3-amino-2-hydroxypropoxy)-3-methylphenol
CID 143628110
2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 103975241
(1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine
CID 10377047

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(2,6-dimethylphenoxy)ethanol?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(2,6-dimethylphenoxy)ethanol (CID 43531485) is 1-[4-(aminomethyl)phenyl]-2-(2,6-dimethylphenoxy)ethanol.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-(2,6-dimethylphenoxy)ethanol?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-(2,6-dimethylphenoxy)ethanol is Cc1cccc(C)c1OCC(O)c1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-(2,6-dimethylphenoxy)ethanol?
The InChIKey is CJEGWCJWRYTCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-4-3-5-13(2)17(12)20-11-16(19)15-8-6-14(10-18)7-9-15/h3-9,16,19H,10-11,18H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-(2,6-dimethylphenoxy)ethanol?
1-[4-(aminomethyl)phenyl]-2-(2,6-dimethylphenoxy)ethanol has a molecular weight of 271.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-(2,6-dimethylphenoxy)ethanol is sourced from PubChem (CID 43531485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).