4-amino-2-(1-amino-2-methoxyethyl)phenol

C9H14N2O2 — CID 55294234

IUPAC4-amino-2-(1-amino-2-methoxyethyl)phenol
SMILESCOCC(N)c1cc(N)ccc1O
InChIInChI=1S/C9H14N2O2/c1-13-5-8(11)7-4-6(10)2-3-9(7)12/h2-4,8,12H,5,10-11H2,1H3
InChIKeyXBRVTIORIWMJLZ-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.62
Rot. Bonds3

About 4-amino-2-(1-amino-2-methoxyethyl)phenol

4-amino-2-(1-amino-2-methoxyethyl)phenol (PubChem CID 55294234) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-amino-2-(1-amino-2-methoxyethyl)phenol.

Molecular Properties

Compound Name4-amino-2-(1-amino-2-methoxyethyl)phenol
PubChem CID55294234
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-amino-2-(1-amino-2-methoxyethyl)phenol
SMILESCOCC(N)c1cc(N)ccc1O
InChIInChI=1S/C9H14N2O2/c1-13-5-8(11)7-4-6(10)2-3-9(7)12/h2-4,8,12H,5,10-11H2,1H3
InChIKeyXBRVTIORIWMJLZ-UHFFFAOYSA-N
XLogP0.62
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-[(1R)-1-amino-2-methoxyethyl]benzonitrile
CID 130715081
2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol
CID 55293424
4-[(1R)-1-amino-2-methoxyethyl]benzene-1,2-diol
CID 130658137
4-amino-2-[(1R)-1-amino-2,2-dimethylpropyl]phenol
CID 130731224
4-[(1S)-1-amino-2-methoxyethyl]pyridin-3-ol
CID 55294329
4-amino-2-(1-fluoroethyl)phenol
CID 143243715
3-[(1S)-1-amino-2-methoxyethyl]aniline
CID 55291978
4-(1-amino-2-methoxyethyl)-3-fluorophenol
CID 55273323
4-[(1S)-1-amino-2-methoxyethyl]-3-ethylphenol
CID 55268338
4-amino-2-[hydroxy(iodo)methyl]phenol
CID 70536065
5-amino-2-[(1R)-1-aminopropyl]phenol
CID 130738459
2-(1-amino-2-methoxyethyl)-5-bromoaniline
CID 130043001

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-amino-2-methoxyethyl)phenol?
The IUPAC name of 4-amino-2-(1-amino-2-methoxyethyl)phenol (CID 55294234) is 4-amino-2-(1-amino-2-methoxyethyl)phenol.
What is the SMILES notation for 4-amino-2-(1-amino-2-methoxyethyl)phenol?
The canonical SMILES for 4-amino-2-(1-amino-2-methoxyethyl)phenol is COCC(N)c1cc(N)ccc1O.
What is the InChIKey of 4-amino-2-(1-amino-2-methoxyethyl)phenol?
The InChIKey is XBRVTIORIWMJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-13-5-8(11)7-4-6(10)2-3-9(7)12/h2-4,8,12H,5,10-11H2,1H3.
What are the key properties of 4-amino-2-(1-amino-2-methoxyethyl)phenol?
4-amino-2-(1-amino-2-methoxyethyl)phenol has a molecular weight of 182.22 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-amino-2-methoxyethyl)phenol is sourced from PubChem (CID 55294234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).