2-[2-(dimethylamino)propyl]phenol

C11H17NO — CID 3064064

IUPAC2-[2-(dimethylamino)propyl]phenol
SMILESCC(Cc1ccccc1O)N(C)C
InChIInChI=1S/C11H17NO/c1-9(12(2)3)8-10-6-4-5-7-11(10)13/h4-7,9,13H,8H2,1-3H3
InChIKeyNOSUUDNWGFFOOL-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.88
Rot. Bonds3

About 2-[2-(dimethylamino)propyl]phenol

2-[2-(dimethylamino)propyl]phenol (PubChem CID 3064064) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-[2-(dimethylamino)propyl]phenol.

Molecular Properties

Compound Name2-[2-(dimethylamino)propyl]phenol
PubChem CID3064064
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-[2-(dimethylamino)propyl]phenol
SMILESCC(Cc1ccccc1O)N(C)C
InChIInChI=1S/C11H17NO/c1-9(12(2)3)8-10-6-4-5-7-11(10)13/h4-7,9,13H,8H2,1-3H3
InChIKeyNOSUUDNWGFFOOL-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)propyl]phenol?
The IUPAC name of 2-[2-(dimethylamino)propyl]phenol (CID 3064064) is 2-[2-(dimethylamino)propyl]phenol.
What is the SMILES notation for 2-[2-(dimethylamino)propyl]phenol?
The canonical SMILES for 2-[2-(dimethylamino)propyl]phenol is CC(Cc1ccccc1O)N(C)C.
What is the InChIKey of 2-[2-(dimethylamino)propyl]phenol?
The InChIKey is NOSUUDNWGFFOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(12(2)3)8-10-6-4-5-7-11(10)13/h4-7,9,13H,8H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)propyl]phenol?
2-[2-(dimethylamino)propyl]phenol has a molecular weight of 179.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)propyl]phenol is sourced from PubChem (CID 3064064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).