4-[3-(dimethylamino)propyl]phenol;hydrochloride

C11H18ClNO — CID 3057207

IUPAC4-[3-(dimethylamino)propyl]phenol;hydrochloride
SMILESCN(C)CCCc1ccc(O)cc1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-12(2)9-3-4-10-5-7-11(13)8-6-10;/h5-8,13H,3-4,9H2,1-2H3;1H
InChIKeyYPCPDDRXDLAMMA-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.31
Rot. Bonds4

About 4-[3-(dimethylamino)propyl]phenol;hydrochloride

4-[3-(dimethylamino)propyl]phenol;hydrochloride (PubChem CID 3057207) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl]phenol;hydrochloride
PubChem CID3057207
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name4-[3-(dimethylamino)propyl]phenol;hydrochloride
SMILESCN(C)CCCc1ccc(O)cc1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-12(2)9-3-4-10-5-7-11(13)8-6-10;/h5-8,13H,3-4,9H2,1-2H3;1H
InChIKeyYPCPDDRXDLAMMA-UHFFFAOYSA-N
XLogP2.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl]phenol;hydrochloride?
The IUPAC name of 4-[3-(dimethylamino)propyl]phenol;hydrochloride (CID 3057207) is 4-[3-(dimethylamino)propyl]phenol;hydrochloride.
What is the SMILES notation for 4-[3-(dimethylamino)propyl]phenol;hydrochloride?
The canonical SMILES for 4-[3-(dimethylamino)propyl]phenol;hydrochloride is CN(C)CCCc1ccc(O)cc1.Cl.
What is the InChIKey of 4-[3-(dimethylamino)propyl]phenol;hydrochloride?
The InChIKey is YPCPDDRXDLAMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-12(2)9-3-4-10-5-7-11(13)8-6-10;/h5-8,13H,3-4,9H2,1-2H3;1H.
What are the key properties of 4-[3-(dimethylamino)propyl]phenol;hydrochloride?
4-[3-(dimethylamino)propyl]phenol;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl]phenol;hydrochloride is sourced from PubChem (CID 3057207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).