4-[1-[amino(ethyl)amino]ethyl]-2-methylphenol;dihydrochloride

C11H20Cl2N2O — CID 67242419

IUPAC4-[1-[amino(ethyl)amino]ethyl]-2-methylphenol;dihydrochloride
SMILESCCN(N)C(C)c1ccc(O)c(C)c1.Cl.Cl
InChIInChI=1S/C11H18N2O.2ClH/c1-4-13(12)9(3)10-5-6-11(14)8(2)7-10;;/h5-7,9,14H,4,12H2,1-3H3;2*1H
InChIKeyICNULMJWGRITBY-UHFFFAOYSA-N
MW267.20 g/mol
LogP2.80
Rot. Bonds3

About 4-[1-[amino(ethyl)amino]ethyl]-2-methylphenol;dihydrochloride

4-[1-[amino(ethyl)amino]ethyl]-2-methylphenol;dihydrochloride (PubChem CID 67242419) has the molecular formula C11H20Cl2N2O and a molecular weight of 267.20 g/mol. Its IUPAC name is 4-[1-[amino(ethyl)amino]ethyl]-2-methylphenol;dihydrochloride.

Molecular Properties

Compound Name4-[1-[amino(ethyl)amino]ethyl]-2-methylphenol;dihydrochloride
PubChem CID67242419
Molecular FormulaC11H20Cl2N2O
Molecular Weight267.20 g/mol
Exact Mass266.10
IUPAC Name4-[1-[amino(ethyl)amino]ethyl]-2-methylphenol;dihydrochloride
SMILESCCN(N)C(C)c1ccc(O)c(C)c1.Cl.Cl
InChIInChI=1S/C11H18N2O.2ClH/c1-4-13(12)9(3)10-5-6-11(14)8(2)7-10;;/h5-7,9,14H,4,12H2,1-3H3;2*1H
InChIKeyICNULMJWGRITBY-UHFFFAOYSA-N
XLogP2.80
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(1S)-1-amino-2-methylbutyl]-2-methylphenol;hydrochloride
CID 171232746
4-[(1R)-1-aminoethyl]-2-methylphenol
CID 59272894
4-[(1S)-1,2-diaminoethyl]-2-methylphenol;hydrochloride
CID 171213095
4-(2-amino-1-hydroxypropyl)-2-methylphenol;hydrochloride
CID 131882584
4-[4-amino-3-(aminomethyl)butan-2-yl]-2-methylphenol
CID 83922958
4-[(1S)-1-aminopentyl]-2-methylphenol
CID 171145513
4-(1-methoxyethyl)-2-methylphenol
CID 142839591
4-(1-amino-3-hydroxypropyl)-2-methylphenol
CID 55282245
4-(4-chlorobutan-2-yl)-2-methylphenol
CID 83922938
5-(4-hydroxy-3-methylphenyl)heptane-2,3-diol
CID 112717297
2-methyl-4-(1-propylsulfanylpropan-2-yl)phenol
CID 14711850
ethyl 2,3-dihydroxy-3-(4-hydroxy-3-methylphenyl)propanoate
CID 171865724

Frequently Asked Questions

What is the IUPAC name of 4-[1-[amino(ethyl)amino]ethyl]-2-methylphenol;dihydrochloride?
The IUPAC name of 4-[1-[amino(ethyl)amino]ethyl]-2-methylphenol;dihydrochloride (CID 67242419) is 4-[1-[amino(ethyl)amino]ethyl]-2-methylphenol;dihydrochloride.
What is the SMILES notation for 4-[1-[amino(ethyl)amino]ethyl]-2-methylphenol;dihydrochloride?
The canonical SMILES for 4-[1-[amino(ethyl)amino]ethyl]-2-methylphenol;dihydrochloride is CCN(N)C(C)c1ccc(O)c(C)c1.Cl.Cl.
What is the InChIKey of 4-[1-[amino(ethyl)amino]ethyl]-2-methylphenol;dihydrochloride?
The InChIKey is ICNULMJWGRITBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.2ClH/c1-4-13(12)9(3)10-5-6-11(14)8(2)7-10;;/h5-7,9,14H,4,12H2,1-3H3;2*1H.
What are the key properties of 4-[1-[amino(ethyl)amino]ethyl]-2-methylphenol;dihydrochloride?
4-[1-[amino(ethyl)amino]ethyl]-2-methylphenol;dihydrochloride has a molecular weight of 267.20 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[amino(ethyl)amino]ethyl]-2-methylphenol;dihydrochloride is sourced from PubChem (CID 67242419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).