1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol

C16H27NO2 — CID 71651455

IUPAC1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
SMILESCC(C)CNCC(O)COc1ccccc1C(C)C
InChIInChI=1S/C16H27NO2/c1-12(2)9-17-10-14(18)11-19-16-8-6-5-7-15(16)13(3)4/h5-8,12-14,17-18H,9-11H2,1-4H3
InChIKeyLOTSSUUHEKWMFD-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.80
Rot. Bonds8

About 1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol

1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol (PubChem CID 71651455) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
PubChem CID71651455
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
SMILESCC(C)CNCC(O)COc1ccccc1C(C)C
InChIInChI=1S/C16H27NO2/c1-12(2)9-17-10-14(18)11-19-16-8-6-5-7-15(16)13(3)4/h5-8,12-14,17-18H,9-11H2,1-4H3
InChIKeyLOTSSUUHEKWMFD-UHFFFAOYSA-N
XLogP2.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 39366264
1-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
N-[2-[[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]ethyl]acetamide
CID 2561444
1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 107657511
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4799215
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-[1-(4-chlorophenyl)ethylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138960352
2-(methylamino)-3-(2-propan-2-ylphenoxy)propan-1-ol
CID 64804789
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-(2,3-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 64569714
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol?
The IUPAC name of 1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol (CID 71651455) is 1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol is CC(C)CNCC(O)COc1ccccc1C(C)C.
What is the InChIKey of 1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol?
The InChIKey is LOTSSUUHEKWMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)9-17-10-14(18)11-19-16-8-6-5-7-15(16)13(3)4/h5-8,12-14,17-18H,9-11H2,1-4H3.
What are the key properties of 1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol?
1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 71651455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).