1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol

C16H27NO2 — CID 60902172

IUPAC1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CNC(C)CC(C)C
InChIInChI=1S/C16H27NO2/c1-12(2)9-14(4)17-10-15(18)11-19-16-8-6-5-7-13(16)3/h5-8,12,14-15,17-18H,9-11H2,1-4H3
InChIKeyALDOKCCEANCKRU-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.76
Rot. Bonds8

About 1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol

1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol (PubChem CID 60902172) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol
PubChem CID60902172
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CNC(C)CC(C)C
InChIInChI=1S/C16H27NO2/c1-12(2)9-14(4)17-10-15(18)11-19-16-8-6-5-7-13(16)3/h5-8,12,14-15,17-18H,9-11H2,1-4H3
InChIKeyALDOKCCEANCKRU-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 27319633
1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 54332913
1-(2-methylphenoxy)-3-(1-thiophen-3-ylpropan-2-ylamino)propan-2-ol
CID 61223540
(2S)-1-[1-(1H-indol-3-yl)propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 57123059
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 111462130
1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81396632
1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408747
1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60745192
1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 112768289
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol (CID 60902172) is 1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OCC(O)CNC(C)CC(C)C.
What is the InChIKey of 1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is ALDOKCCEANCKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)9-14(4)17-10-15(18)11-19-16-8-6-5-7-13(16)3/h5-8,12,14-15,17-18H,9-11H2,1-4H3.
What are the key properties of 1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol?
1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 60902172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).