1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol

C20H35NO2 — CID 5000223

IUPAC1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
SMILESCCC(C)c1ccccc1OCC(O)CNC(C)(C)C(C)(C)C
InChIInChI=1S/C20H35NO2/c1-8-15(2)17-11-9-10-12-18(17)23-14-16(22)13-21-20(6,7)19(3,4)5/h9-12,15-16,21-22H,8,13-14H2,1-7H3
InChIKeyIQGBZGOVPLFYRK-UHFFFAOYSA-N
MW321.50 g/mol
LogP4.35
Rot. Bonds8

About 1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol

1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol (PubChem CID 5000223) has the molecular formula C20H35NO2 and a molecular weight of 321.50 g/mol. Its IUPAC name is 1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
PubChem CID5000223
Molecular FormulaC20H35NO2
Molecular Weight321.50 g/mol
Exact Mass321.27
IUPAC Name1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
SMILESCCC(C)c1ccccc1OCC(O)CNC(C)(C)C(C)(C)C
InChIInChI=1S/C20H35NO2/c1-8-15(2)17-11-9-10-12-18(17)23-14-16(22)13-21-20(6,7)19(3,4)5/h9-12,15-16,21-22H,8,13-14H2,1-7H3
InChIKeyIQGBZGOVPLFYRK-UHFFFAOYSA-N
XLogP4.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.50
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol with MolForge

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Related Compounds

[(2R)-3-[2-[(2S)-butan-2-yl]phenoxy]-2-hydroxypropyl]-tert-butylazanium
CID 7025134
1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 3076139
1-(2-butan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959141
(2R)-1-[2-[(2S)-butan-2-yl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol
CID 7025108
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
[(2R)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]-cyclopentylazanium
CID 7187890
1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 71651455
5-(2-butan-2-ylphenoxy)-N-tert-butylpentan-1-amine
CID 63498593
2-[2-hydroxy-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propoxy]benzonitrile
CID 106190130
1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol
CID 63929877
1-(2-butan-2-ylphenoxy)-N-methylpentan-2-amine
CID 62042987
1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 65038779

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol (CID 5000223) is 1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol is CCC(C)c1ccccc1OCC(O)CNC(C)(C)C(C)(C)C.
What is the InChIKey of 1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol?
The InChIKey is IQGBZGOVPLFYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2/c1-8-15(2)17-11-9-10-12-18(17)23-14-16(22)13-21-20(6,7)19(3,4)5/h9-12,15-16,21-22H,8,13-14H2,1-7H3.
What are the key properties of 1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol?
1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol has a molecular weight of 321.50 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol is sourced from PubChem (CID 5000223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).