3-[1-(dimethylamino)propan-2-yl]phenol

C11H17NO — CID 3029890

IUPAC3-[1-(dimethylamino)propan-2-yl]phenol
SMILESCC(CN(C)C)c1cccc(O)c1
InChIInChI=1S/C11H17NO/c1-9(8-12(2)3)10-5-4-6-11(13)7-10/h4-7,9,13H,8H2,1-3H3
InChIKeyCBBWXBZQDOEUSY-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.06
Rot. Bonds3

About 3-[1-(dimethylamino)propan-2-yl]phenol

3-[1-(dimethylamino)propan-2-yl]phenol (PubChem CID 3029890) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-[1-(dimethylamino)propan-2-yl]phenol.

Molecular Properties

Compound Name3-[1-(dimethylamino)propan-2-yl]phenol
PubChem CID3029890
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-[1-(dimethylamino)propan-2-yl]phenol
SMILESCC(CN(C)C)c1cccc(O)c1
InChIInChI=1S/C11H17NO/c1-9(8-12(2)3)10-5-4-6-11(13)7-10/h4-7,9,13H,8H2,1-3H3
InChIKeyCBBWXBZQDOEUSY-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol
CID 70853706
3-[(2R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;hydrochloride
CID 69349289
3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;methane
CID 159304421
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
3-(3-hydroxyphenyl)butanenitrile
CID 77440133
3-[(1R)-1-(dimethylamino)ethyl]phenol
CID 10313270
3-[1-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]ethyl]phenol
CID 43751770
3-(1-isocyanopropan-2-yl)phenol
CID 105431642
methyl 3-(dimethylamino)-2-(3-hydroxyphenyl)propanoate
CID 117243253
3-[1-[[5-(dimethylamino)-3-(3-hydroxyphenyl)-2,4-dimethylpentyl]-methylamino]-2-methylpentan-3-yl]phenol
CID 123630245
3-pentadecan-2-ylphenol
CID 57199867
(Z)-but-2-enedioic acid;3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol
CID 51042275

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)propan-2-yl]phenol?
The IUPAC name of 3-[1-(dimethylamino)propan-2-yl]phenol (CID 3029890) is 3-[1-(dimethylamino)propan-2-yl]phenol.
What is the SMILES notation for 3-[1-(dimethylamino)propan-2-yl]phenol?
The canonical SMILES for 3-[1-(dimethylamino)propan-2-yl]phenol is CC(CN(C)C)c1cccc(O)c1.
What is the InChIKey of 3-[1-(dimethylamino)propan-2-yl]phenol?
The InChIKey is CBBWXBZQDOEUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(8-12(2)3)10-5-4-6-11(13)7-10/h4-7,9,13H,8H2,1-3H3.
What are the key properties of 3-[1-(dimethylamino)propan-2-yl]phenol?
3-[1-(dimethylamino)propan-2-yl]phenol has a molecular weight of 179.26 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)propan-2-yl]phenol is sourced from PubChem (CID 3029890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).