1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol

C14H24N2O2 — CID 81405230

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
SMILESC[C@@H](NCC(O)COC(C)(C)C)c1cccnc1
InChIInChI=1S/C14H24N2O2/c1-11(12-6-5-7-15-8-12)16-9-13(17)10-18-14(2,3)4/h5-8,11,13,16-17H,9-10H2,1-4H3/t11-,13?/m1/s1
InChIKeyGGTWGPQJRMSWLC-JTDNENJMSA-N
MW252.36 g/mol
LogP1.91
Rot. Bonds6

About 1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol

1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol (PubChem CID 81405230) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
PubChem CID81405230
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
SMILESC[C@@H](NCC(O)COC(C)(C)C)c1cccnc1
InChIInChI=1S/C14H24N2O2/c1-11(12-6-5-7-15-8-12)16-9-13(17)10-18-14(2,3)4/h5-8,11,13,16-17H,9-10H2,1-4H3/t11-,13?/m1/s1
InChIKeyGGTWGPQJRMSWLC-JTDNENJMSA-N
XLogP1.91
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 8741564
1-phenylmethoxy-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81393836
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
1-(cyclopropylmethoxy)-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81404785
1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81404417
1-[[(1S)-1-pyridin-3-ylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81405111
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81407338
1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81353301
1-phenyl-2-(1-pyridin-3-ylethylamino)ethanol
CID 43499221
2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol
CID 81405139
(1S)-1-(4-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethanol
CID 97158238
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81387292

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol (CID 81405230) is 1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol is C[C@@H](NCC(O)COC(C)(C)C)c1cccnc1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol?
The InChIKey is GGTWGPQJRMSWLC-JTDNENJMSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(12-6-5-7-15-8-12)16-9-13(17)10-18-14(2,3)4/h5-8,11,13,16-17H,9-10H2,1-4H3/t11-,13?/m1/s1.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol?
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol is sourced from PubChem (CID 81405230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).