2,5-bis(2-aminoethyl)-4-methoxyphenol

C11H18N2O2 — CID 117274744

IUPAC2,5-bis(2-aminoethyl)-4-methoxyphenol
SMILESCOc1cc(CCN)c(O)cc1CCN
InChIInChI=1S/C11H18N2O2/c1-15-11-7-8(2-4-12)10(14)6-9(11)3-5-13/h6-7,14H,2-5,12-13H2,1H3
InChIKeyRBTHFXHRWIDNPN-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.40
Rot. Bonds5

About 2,5-bis(2-aminoethyl)-4-methoxyphenol

2,5-bis(2-aminoethyl)-4-methoxyphenol (PubChem CID 117274744) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2,5-bis(2-aminoethyl)-4-methoxyphenol.

Molecular Properties

Compound Name2,5-bis(2-aminoethyl)-4-methoxyphenol
PubChem CID117274744
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2,5-bis(2-aminoethyl)-4-methoxyphenol
SMILESCOc1cc(CCN)c(O)cc1CCN
InChIInChI=1S/C11H18N2O2/c1-15-11-7-8(2-4-12)10(14)6-9(11)3-5-13/h6-7,14H,2-5,12-13H2,1H3
InChIKeyRBTHFXHRWIDNPN-UHFFFAOYSA-N
XLogP0.40
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,5-bis(2-aminoethyl)-4-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656
5-(2-aminoethyl)benzene-1,2,4-triol chloride
CID 23615875
2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine
CID 57498513
2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine
CID 83881713
2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine
CID 15915366
2,5-diethyl-4-methoxyphenol
CID 162375149
1-[4-(2-aminoethyl)-2,5-dimethoxyphenyl]-2-methylpropan-1-one
CID 171534658
3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid
CID 117304993
2-(4-fluoro-2-methoxyphenyl)ethanamine
CID 55254856
2-(4-ethynyl-2,5-dimethoxyphenyl)ethanamine;hydrochloride
CID 76967015
2-(2,5-dimethoxy-4-prop-1-ynylphenyl)ethanamine
CID 171652322

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-aminoethyl)-4-methoxyphenol?
The IUPAC name of 2,5-bis(2-aminoethyl)-4-methoxyphenol (CID 117274744) is 2,5-bis(2-aminoethyl)-4-methoxyphenol.
What is the SMILES notation for 2,5-bis(2-aminoethyl)-4-methoxyphenol?
The canonical SMILES for 2,5-bis(2-aminoethyl)-4-methoxyphenol is COc1cc(CCN)c(O)cc1CCN.
What is the InChIKey of 2,5-bis(2-aminoethyl)-4-methoxyphenol?
The InChIKey is RBTHFXHRWIDNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-15-11-7-8(2-4-12)10(14)6-9(11)3-5-13/h6-7,14H,2-5,12-13H2,1H3.
What are the key properties of 2,5-bis(2-aminoethyl)-4-methoxyphenol?
2,5-bis(2-aminoethyl)-4-methoxyphenol has a molecular weight of 210.28 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-aminoethyl)-4-methoxyphenol is sourced from PubChem (CID 117274744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).