1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol

C17H29NO2 — CID 2843556

IUPAC1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-6-18(7-2)12-15(19)13-20-16-10-8-14(9-11-16)17(3,4)5/h8-11,15,19H,6-7,12-13H2,1-5H3
InChIKeyXEBOHDDYDKJLHV-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.07
Rot. Bonds7

About 1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol

1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol (PubChem CID 2843556) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol
PubChem CID2843556
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-6-18(7-2)12-15(19)13-20-16-10-8-14(9-11-16)17(3,4)5/h8-11,15,19H,6-7,12-13H2,1-5H3
InChIKeyXEBOHDDYDKJLHV-UHFFFAOYSA-N
XLogP3.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(diethylamino)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol
CID 18807375
(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol
CID 26961688
(2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 7157614
1-[[3-(4-aminophenoxy)-2-hydroxypropyl]-ethylamino]-2-methylpropan-2-ol
CID 79385193
1-(4-tert-butylphenoxy)-3-(3,5-ditert-butylphenoxy)propan-2-ol
CID 140533056
1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2769832
4-amino-1-(4-tert-butylphenoxy)butan-2-ol
CID 112500941
1-(4-aminophenoxy)-3-[ethyl(2-ethylbutyl)amino]propan-2-ol
CID 43587427
tert-butyl-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]azanium
CID 2046218
1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 4597513
1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol
CID 43253651
[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 6940656

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol?
The IUPAC name of 1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol (CID 2843556) is 1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol?
The canonical SMILES for 1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol is CCN(CC)CC(O)COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol?
The InChIKey is XEBOHDDYDKJLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-18(7-2)12-15(19)13-20-16-10-8-14(9-11-16)17(3,4)5/h8-11,15,19H,6-7,12-13H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol?
1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 2843556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).