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

C14H24N2O2 — CID 81407338

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
SMILESC[C@@H](NCC(O)COC(C)(C)C)c1ccccn1
InChIInChI=1S/C14H24N2O2/c1-11(13-7-5-6-8-15-13)16-9-12(17)10-18-14(2,3)4/h5-8,11-12,16-17H,9-10H2,1-4H3/t11-,12?/m1/s1
InChIKeyCLRBQKRYWJYMRN-JHJMLUEUSA-N
MW252.36 g/mol
LogP1.91
Rot. Bonds6

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

1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol (PubChem CID 81407338) 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-2-ylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
PubChem CID81407338
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
SMILESC[C@@H](NCC(O)COC(C)(C)C)c1ccccn1
InChIInChI=1S/C14H24N2O2/c1-11(13-7-5-6-8-15-13)16-9-12(17)10-18-14(2,3)4/h5-8,11-12,16-17H,9-10H2,1-4H3/t11-,12?/m1/s1
InChIKeyCLRBQKRYWJYMRN-JHJMLUEUSA-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-2-ylethyl]amino]propan-2-ol with MolForge

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Related Compounds

1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81402245
1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81401996
1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol
CID 81401299
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 8741564
1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81391897
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81392297
1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81392661
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81405230
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81387292
1-phenyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81407252
1-phenyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 43394637

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol (CID 81407338) is 1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol is C[C@@H](NCC(O)COC(C)(C)C)c1ccccn1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol?
The InChIKey is CLRBQKRYWJYMRN-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(13-7-5-6-8-15-13)16-9-12(17)10-18-14(2,3)4/h5-8,11-12,16-17H,9-10H2,1-4H3/t11-,12?/m1/s1.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol?
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-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-2-ylethyl]amino]propan-2-ol is sourced from PubChem (CID 81407338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).