3-(2-aminoethoxy)-2-methylphenol

C9H13NO2 — CID 83620006

IUPAC3-(2-aminoethoxy)-2-methylphenol
SMILESCc1c(O)cccc1OCCN
InChIInChI=1S/C9H13NO2/c1-7-8(11)3-2-4-9(7)12-6-5-10/h2-4,11H,5-6,10H2,1H3
InChIKeyBFHSEELCMTWMML-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.04
Rot. Bonds3

About 3-(2-aminoethoxy)-2-methylphenol

3-(2-aminoethoxy)-2-methylphenol (PubChem CID 83620006) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-2-methylphenol.

Molecular Properties

Compound Name3-(2-aminoethoxy)-2-methylphenol
PubChem CID83620006
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-(2-aminoethoxy)-2-methylphenol
SMILESCc1c(O)cccc1OCCN
InChIInChI=1S/C9H13NO2/c1-7-8(11)3-2-4-9(7)12-6-5-10/h2-4,11H,5-6,10H2,1H3
InChIKeyBFHSEELCMTWMML-UHFFFAOYSA-N
XLogP1.04
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(3-phenoxypropoxy)phenol
CID 62936106
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol
CID 104564323
N-[2-(2-aminoethoxy)phenyl]-3-hydroxy-2-methylbenzamide
CID 82809720
2-[2-(2-aminoethoxy)phenoxy]ethanamine
CID 2054448
2-(2-aminoethoxy)-6-methylaniline
CID 82502971
2-(3-hydroxy-2-methylphenoxy)acetaldehyde
CID 86739690
2-[2,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol;2-methylbenzene-1,3-diol
CID 157050422
3-(2-chloroprop-2-enoxy)-2-methylphenol
CID 43143314
1-amino-5-(2,3-dimethylphenoxy)pentan-3-ol
CID 112508032
2-(2,3-difluorophenoxy)ethanamine
CID 63036211
2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol
CID 43520078
2-methyl-3-(phenylmethoxymethoxy)phenol
CID 102939968

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-2-methylphenol?
The IUPAC name of 3-(2-aminoethoxy)-2-methylphenol (CID 83620006) is 3-(2-aminoethoxy)-2-methylphenol.
What is the SMILES notation for 3-(2-aminoethoxy)-2-methylphenol?
The canonical SMILES for 3-(2-aminoethoxy)-2-methylphenol is Cc1c(O)cccc1OCCN.
What is the InChIKey of 3-(2-aminoethoxy)-2-methylphenol?
The InChIKey is BFHSEELCMTWMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7-8(11)3-2-4-9(7)12-6-5-10/h2-4,11H,5-6,10H2,1H3.
What are the key properties of 3-(2-aminoethoxy)-2-methylphenol?
3-(2-aminoethoxy)-2-methylphenol has a molecular weight of 167.21 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-2-methylphenol is sourced from PubChem (CID 83620006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).