3-(3-tert-butylphenoxy)-2-methyl-2-(propylamino)propan-1-ol

C17H29NO2 — CID 64806675

IUPAC3-(3-tert-butylphenoxy)-2-methyl-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)COc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H29NO2/c1-6-10-18-17(5,12-19)13-20-15-9-7-8-14(11-15)16(2,3)4/h7-9,11,18-19H,6,10,12-13H2,1-5H3
InChIKeyZVGBXCBEEOTLEO-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.11
Rot. Bonds7

About 3-(3-tert-butylphenoxy)-2-methyl-2-(propylamino)propan-1-ol

3-(3-tert-butylphenoxy)-2-methyl-2-(propylamino)propan-1-ol (PubChem CID 64806675) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-(3-tert-butylphenoxy)-2-methyl-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-(3-tert-butylphenoxy)-2-methyl-2-(propylamino)propan-1-ol
PubChem CID64806675
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-(3-tert-butylphenoxy)-2-methyl-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)COc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H29NO2/c1-6-10-18-17(5,12-19)13-20-15-9-7-8-14(11-15)16(2,3)4/h7-9,11,18-19H,6,10,12-13H2,1-5H3
InChIKeyZVGBXCBEEOTLEO-UHFFFAOYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol
CID 64803556
2-methyl-2-(propylamino)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-ol
CID 64810615
2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol
CID 64804368
2-(ethylamino)-2-methyl-3-(3-propan-2-ylphenoxy)propan-1-ol
CID 64802859
5-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propylamino)pentan-1-ol
CID 64811409
2-methyl-6-phenoxy-2-(propylamino)hexan-1-ol
CID 64803943
1-amino-3-(3-tert-butylphenoxy)-2-methylpropan-2-ol
CID 64815259
1-(3-bromo-2,2-dimethylpropoxy)-3-tert-butylbenzene
CID 64995339
2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol
CID 64802099
3-[4-(3-tert-butylphenoxy)butylamino]propan-1-ol
CID 20619609
2-methyl-4-(2-phenoxyethoxy)-2-(propylamino)butan-1-ol
CID 64803814
2-[2-(3-bromophenoxy)ethylamino]-2-methylbutan-1-ol
CID 64549139

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylphenoxy)-2-methyl-2-(propylamino)propan-1-ol?
The IUPAC name of 3-(3-tert-butylphenoxy)-2-methyl-2-(propylamino)propan-1-ol (CID 64806675) is 3-(3-tert-butylphenoxy)-2-methyl-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-(3-tert-butylphenoxy)-2-methyl-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-(3-tert-butylphenoxy)-2-methyl-2-(propylamino)propan-1-ol is CCCNC(C)(CO)COc1cccc(C(C)(C)C)c1.
What is the InChIKey of 3-(3-tert-butylphenoxy)-2-methyl-2-(propylamino)propan-1-ol?
The InChIKey is ZVGBXCBEEOTLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-10-18-17(5,12-19)13-20-15-9-7-8-14(11-15)16(2,3)4/h7-9,11,18-19H,6,10,12-13H2,1-5H3.
What are the key properties of 3-(3-tert-butylphenoxy)-2-methyl-2-(propylamino)propan-1-ol?
3-(3-tert-butylphenoxy)-2-methyl-2-(propylamino)propan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylphenoxy)-2-methyl-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64806675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).