1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol

C15H25NO2 — CID 3719845

IUPAC1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
SMILESCc1cc(OCC(O)CN(C)C)ccc1C(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)15-7-6-14(8-12(15)3)18-10-13(17)9-16(4)5/h6-8,11,13,17H,9-10H2,1-5H3
InChIKeyRQJJHVTWHWEEQO-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.42
Rot. Bonds6

About 1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol

1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol (PubChem CID 3719845) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
PubChem CID3719845
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
SMILESCc1cc(OCC(O)CN(C)C)ccc1C(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)15-7-6-14(8-12(15)3)18-10-13(17)9-16(4)5/h6-8,11,13,17H,9-10H2,1-5H3
InChIKeyRQJJHVTWHWEEQO-UHFFFAOYSA-N
XLogP2.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 4597513
1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 45124676
(2S)-1-amino-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 9159080
1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 43188013
(2S)-1-(3-methyl-4-propan-2-ylphenoxy)-3-pyrrolidin-1-ium-1-ylpropan-2-ol
CID 7460208
(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 6952514
(2R)-1-(4-ethylpiperazine-1,4-diium-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 2134492
1-[2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]pyrrolidine-2,5-dione
CID 132585786
1-(azepan-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 2853018
2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 43537580
(2S)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 782845
(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol
CID 51863667

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol (CID 3719845) is 1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol is Cc1cc(OCC(O)CN(C)C)ccc1C(C)C.
What is the InChIKey of 1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
The InChIKey is RQJJHVTWHWEEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)15-7-6-14(8-12(15)3)18-10-13(17)9-16(4)5/h6-8,11,13,17H,9-10H2,1-5H3.
What are the key properties of 1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 3719845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).