4-(2-aminoethyl)-2,6-dimethylphenol;hydrochloride

C10H16ClNO — CID 67251388

IUPAC4-(2-aminoethyl)-2,6-dimethylphenol;hydrochloride
SMILESCc1cc(CCN)cc(C)c1O.Cl
InChIInChI=1S/C10H15NO.ClH/c1-7-5-9(3-4-11)6-8(2)10(7)12;/h5-6,12H,3-4,11H2,1-2H3;1H
InChIKeyADKSRDHXUKHZSH-UHFFFAOYSA-N
MW201.70 g/mol
LogP1.93
Rot. Bonds2

About 4-(2-aminoethyl)-2,6-dimethylphenol;hydrochloride

4-(2-aminoethyl)-2,6-dimethylphenol;hydrochloride (PubChem CID 67251388) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2,6-dimethylphenol;hydrochloride.

Molecular Properties

Compound Name4-(2-aminoethyl)-2,6-dimethylphenol;hydrochloride
PubChem CID67251388
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name4-(2-aminoethyl)-2,6-dimethylphenol;hydrochloride
SMILESCc1cc(CCN)cc(C)c1O.Cl
InChIInChI=1S/C10H15NO.ClH/c1-7-5-9(3-4-11)6-8(2)10(7)12;/h5-6,12H,3-4,11H2,1-2H3;1H
InChIKeyADKSRDHXUKHZSH-UHFFFAOYSA-N
XLogP1.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2,6-dimethylphenol;hydrochloride?
The IUPAC name of 4-(2-aminoethyl)-2,6-dimethylphenol;hydrochloride (CID 67251388) is 4-(2-aminoethyl)-2,6-dimethylphenol;hydrochloride.
What is the SMILES notation for 4-(2-aminoethyl)-2,6-dimethylphenol;hydrochloride?
The canonical SMILES for 4-(2-aminoethyl)-2,6-dimethylphenol;hydrochloride is Cc1cc(CCN)cc(C)c1O.Cl.
What is the InChIKey of 4-(2-aminoethyl)-2,6-dimethylphenol;hydrochloride?
The InChIKey is ADKSRDHXUKHZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-7-5-9(3-4-11)6-8(2)10(7)12;/h5-6,12H,3-4,11H2,1-2H3;1H.
What are the key properties of 4-(2-aminoethyl)-2,6-dimethylphenol;hydrochloride?
4-(2-aminoethyl)-2,6-dimethylphenol;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2,6-dimethylphenol;hydrochloride is sourced from PubChem (CID 67251388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).