2-(1,2-diaminoethyl)-4-methoxyphenol

C9H14N2O2 — CID 55282717

IUPAC2-(1,2-diaminoethyl)-4-methoxyphenol
SMILESCOc1ccc(O)c(C(N)CN)c1
InChIInChI=1S/C9H14N2O2/c1-13-6-2-3-9(12)7(4-6)8(11)5-10/h2-4,8,12H,5,10-11H2,1H3
InChIKeyTVFWYVBZYGWSDZ-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.36
Rot. Bonds3

About 2-(1,2-diaminoethyl)-4-methoxyphenol

2-(1,2-diaminoethyl)-4-methoxyphenol (PubChem CID 55282717) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(1,2-diaminoethyl)-4-methoxyphenol.

Molecular Properties

Compound Name2-(1,2-diaminoethyl)-4-methoxyphenol
PubChem CID55282717
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(1,2-diaminoethyl)-4-methoxyphenol
SMILESCOc1ccc(O)c(C(N)CN)c1
InChIInChI=1S/C9H14N2O2/c1-13-6-2-3-9(12)7(4-6)8(11)5-10/h2-4,8,12H,5,10-11H2,1H3
InChIKeyTVFWYVBZYGWSDZ-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-amino-2-fluoroethyl]-4-methoxyphenol
CID 130739611
2-(1-aminopropyl)-4-methoxyphenol
CID 19748508
2-[(1S)-1,5-diaminopentyl]-4-methoxyphenol
CID 171222237
2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55264441
2-[(1S)-1-amino-3,3-difluoropropyl]-4-methoxyphenol;hydrochloride
CID 171312960
2-[(1S)-1,2-diaminoethyl]-4-[(2-methylpropan-2-yl)oxy]phenol;hydrochloride
CID 171214015
(1S)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine
CID 130673057
(1R)-1-(5-methoxy-2-methylphenyl)ethane-1,2-diamine
CID 130648897
2-[(1S)-1-amino-3-methylbut-3-enyl]-4-methoxyphenol;hydrochloride
CID 171222270
2-[(1R)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride
CID 171202696
2-[(1S)-1-amino-3,3,3-trifluoropropyl]-4-methoxyphenol;hydrochloride
CID 171222254
(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224399

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-diaminoethyl)-4-methoxyphenol?
The IUPAC name of 2-(1,2-diaminoethyl)-4-methoxyphenol (CID 55282717) is 2-(1,2-diaminoethyl)-4-methoxyphenol.
What is the SMILES notation for 2-(1,2-diaminoethyl)-4-methoxyphenol?
The canonical SMILES for 2-(1,2-diaminoethyl)-4-methoxyphenol is COc1ccc(O)c(C(N)CN)c1.
What is the InChIKey of 2-(1,2-diaminoethyl)-4-methoxyphenol?
The InChIKey is TVFWYVBZYGWSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-13-6-2-3-9(12)7(4-6)8(11)5-10/h2-4,8,12H,5,10-11H2,1H3.
What are the key properties of 2-(1,2-diaminoethyl)-4-methoxyphenol?
2-(1,2-diaminoethyl)-4-methoxyphenol has a molecular weight of 182.22 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-diaminoethyl)-4-methoxyphenol is sourced from PubChem (CID 55282717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).