3-[1-(dimethylamino)ethyl]phenol;hydrochloride

C10H16ClNO — CID 3029882

IUPAC3-[1-(dimethylamino)ethyl]phenol;hydrochloride
SMILESCC(c1cccc(O)c1)N(C)C.Cl
InChIInChI=1S/C10H15NO.ClH/c1-8(11(2)3)9-5-4-6-10(12)7-9;/h4-8,12H,1-3H3;1H
InChIKeyHYSDCAISHZHIRV-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.44
Rot. Bonds2

About 3-[1-(dimethylamino)ethyl]phenol;hydrochloride

3-[1-(dimethylamino)ethyl]phenol;hydrochloride (PubChem CID 3029882) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 3-[1-(dimethylamino)ethyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[1-(dimethylamino)ethyl]phenol;hydrochloride
PubChem CID3029882
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name3-[1-(dimethylamino)ethyl]phenol;hydrochloride
SMILESCC(c1cccc(O)c1)N(C)C.Cl
InChIInChI=1S/C10H15NO.ClH/c1-8(11(2)3)9-5-4-6-10(12)7-9;/h4-8,12H,1-3H3;1H
InChIKeyHYSDCAISHZHIRV-UHFFFAOYSA-N
XLogP2.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)ethyl]phenol;hydrochloride?
The IUPAC name of 3-[1-(dimethylamino)ethyl]phenol;hydrochloride (CID 3029882) is 3-[1-(dimethylamino)ethyl]phenol;hydrochloride.
What is the SMILES notation for 3-[1-(dimethylamino)ethyl]phenol;hydrochloride?
The canonical SMILES for 3-[1-(dimethylamino)ethyl]phenol;hydrochloride is CC(c1cccc(O)c1)N(C)C.Cl.
What is the InChIKey of 3-[1-(dimethylamino)ethyl]phenol;hydrochloride?
The InChIKey is HYSDCAISHZHIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-8(11(2)3)9-5-4-6-10(12)7-9;/h4-8,12H,1-3H3;1H.
What are the key properties of 3-[1-(dimethylamino)ethyl]phenol;hydrochloride?
3-[1-(dimethylamino)ethyl]phenol;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)ethyl]phenol;hydrochloride is sourced from PubChem (CID 3029882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).