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

C17H29NO2 — CID 4597513

IUPAC1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
SMILESCCN(CC)CC(O)COc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C17H29NO2/c1-6-18(7-2)11-15(19)12-20-16-8-9-17(13(3)4)14(5)10-16/h8-10,13,15,19H,6-7,11-12H2,1-5H3
InChIKeyVFUKWJKQXBTODT-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.20
Rot. Bonds8

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

1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol (PubChem CID 4597513) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
PubChem CID4597513
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
SMILESCCN(CC)CC(O)COc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C17H29NO2/c1-6-18(7-2)11-15(19)12-20-16-8-9-17(13(3)4)14(5)10-16/h8-10,13,15,19H,6-7,11-12H2,1-5H3
InChIKeyVFUKWJKQXBTODT-UHFFFAOYSA-N
XLogP3.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.20
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;hydrochloride
CID 45124676
1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 3719845
(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
1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2769832
(2S)-1-(3-methyl-4-propan-2-ylphenoxy)-3-pyrrolidin-1-ium-1-ylpropan-2-ol
CID 7460208
(2R)-1-(4-ethylpiperazine-1,4-diium-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 2134492
(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 6952514
(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol
CID 26961688
1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol
CID 2843556
1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol
CID 78962368
1-[2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]pyrrolidine-2,5-dione
CID 132585786

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol (CID 4597513) is 1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol is CCN(CC)CC(O)COc1ccc(C(C)C)c(C)c1.
What is the InChIKey of 1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
The InChIKey is VFUKWJKQXBTODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-18(7-2)11-15(19)12-20-16-8-9-17(13(3)4)14(5)10-16/h8-10,13,15,19H,6-7,11-12H2,1-5H3.
What are the key properties of 1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 4597513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).