2-[2-(dimethylamino)propan-2-yl]phenol

C11H17NO — CID 66587179

IUPAC2-[2-(dimethylamino)propan-2-yl]phenol
SMILESCN(C)C(C)(C)c1ccccc1O
InChIInChI=1S/C11H17NO/c1-11(2,12(3)4)9-7-5-6-8-10(9)13/h5-8,13H,1-4H3
InChIKeyFDDZPFUYDHDALT-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.19
Rot. Bonds2

About 2-[2-(dimethylamino)propan-2-yl]phenol

2-[2-(dimethylamino)propan-2-yl]phenol (PubChem CID 66587179) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-[2-(dimethylamino)propan-2-yl]phenol.

Molecular Properties

Compound Name2-[2-(dimethylamino)propan-2-yl]phenol
PubChem CID66587179
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-[2-(dimethylamino)propan-2-yl]phenol
SMILESCN(C)C(C)(C)c1ccccc1O
InChIInChI=1S/C11H17NO/c1-11(2,12(3)4)9-7-5-6-8-10(9)13/h5-8,13H,1-4H3
InChIKeyFDDZPFUYDHDALT-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate
CID 162321834
CID 172777673
CID 172777673
potassium;2-tert-butylphenol;hydride
CID 174648142
2-(2-hydroxyphenyl)-2-methylpropanal
CID 88788107
tetrakis(2-tert-butylphenol);phosphorous acid
CID 175312297
2-tert-butylphenol;N-methylmethanamine
CID 161387965
2-tert-butylphenol;toluene
CID 175493501
2-tert-butylphenol;2-methylprop-1-ene
CID 160954539
2,4-bis(2-hydroxyphenyl)-2,4-dimethylpentan-3-one
CID 141323363
2-(1,1-difluoro-2,2-dimethylpropyl)phenol
CID 83855896
2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)propan-2-yl]phenol?
The IUPAC name of 2-[2-(dimethylamino)propan-2-yl]phenol (CID 66587179) is 2-[2-(dimethylamino)propan-2-yl]phenol.
What is the SMILES notation for 2-[2-(dimethylamino)propan-2-yl]phenol?
The canonical SMILES for 2-[2-(dimethylamino)propan-2-yl]phenol is CN(C)C(C)(C)c1ccccc1O.
What is the InChIKey of 2-[2-(dimethylamino)propan-2-yl]phenol?
The InChIKey is FDDZPFUYDHDALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2,12(3)4)9-7-5-6-8-10(9)13/h5-8,13H,1-4H3.
What are the key properties of 2-[2-(dimethylamino)propan-2-yl]phenol?
2-[2-(dimethylamino)propan-2-yl]phenol has a molecular weight of 179.26 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)propan-2-yl]phenol is sourced from PubChem (CID 66587179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).