4-[1-(dimethylamino)-2-phenylethyl]phenol;hydrochloride

C16H20ClNO — CID 3022054

IUPAC4-[1-(dimethylamino)-2-phenylethyl]phenol;hydrochloride
SMILESCN(C)C(Cc1ccccc1)c1ccc(O)cc1.Cl
InChIInChI=1S/C16H19NO.ClH/c1-17(2)16(12-13-6-4-3-5-7-13)14-8-10-15(18)11-9-14;/h3-11,16,18H,12H2,1-2H3;1H
InChIKeyWASYEDIEUOOVRK-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.66
Rot. Bonds4

About 4-[1-(dimethylamino)-2-phenylethyl]phenol;hydrochloride

4-[1-(dimethylamino)-2-phenylethyl]phenol;hydrochloride (PubChem CID 3022054) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is 4-[1-(dimethylamino)-2-phenylethyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[1-(dimethylamino)-2-phenylethyl]phenol;hydrochloride
PubChem CID3022054
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name4-[1-(dimethylamino)-2-phenylethyl]phenol;hydrochloride
SMILESCN(C)C(Cc1ccccc1)c1ccc(O)cc1.Cl
InChIInChI=1S/C16H19NO.ClH/c1-17(2)16(12-13-6-4-3-5-7-13)14-8-10-15(18)11-9-14;/h3-11,16,18H,12H2,1-2H3;1H
InChIKeyWASYEDIEUOOVRK-UHFFFAOYSA-N
XLogP3.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylamino)-2-phenylethyl]phenol;hydrochloride?
The IUPAC name of 4-[1-(dimethylamino)-2-phenylethyl]phenol;hydrochloride (CID 3022054) is 4-[1-(dimethylamino)-2-phenylethyl]phenol;hydrochloride.
What is the SMILES notation for 4-[1-(dimethylamino)-2-phenylethyl]phenol;hydrochloride?
The canonical SMILES for 4-[1-(dimethylamino)-2-phenylethyl]phenol;hydrochloride is CN(C)C(Cc1ccccc1)c1ccc(O)cc1.Cl.
What is the InChIKey of 4-[1-(dimethylamino)-2-phenylethyl]phenol;hydrochloride?
The InChIKey is WASYEDIEUOOVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.ClH/c1-17(2)16(12-13-6-4-3-5-7-13)14-8-10-15(18)11-9-14;/h3-11,16,18H,12H2,1-2H3;1H.
What are the key properties of 4-[1-(dimethylamino)-2-phenylethyl]phenol;hydrochloride?
4-[1-(dimethylamino)-2-phenylethyl]phenol;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dimethylamino)-2-phenylethyl]phenol;hydrochloride is sourced from PubChem (CID 3022054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).