1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol

C17H22N2O2 — CID 81396632

IUPAC1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
SMILESCc1ccccc1OCC(O)CN[C@H](C)c1ccncc1
InChIInChI=1S/C17H22N2O2/c1-13-5-3-4-6-17(13)21-12-16(20)11-19-14(2)15-7-9-18-10-8-15/h3-10,14,16,19-20H,11-12H2,1-2H3/t14-,16?/m1/s1
InChIKeyDHCXKCQUQMWSJM-IURRXHLWSA-N
MW286.38 g/mol
LogP2.48
Rot. Bonds7

About 1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol

1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol (PubChem CID 81396632) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
PubChem CID81396632
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
SMILESCc1ccccc1OCC(O)CN[C@H](C)c1ccncc1
InChIInChI=1S/C17H22N2O2/c1-13-5-3-4-6-17(13)21-12-16(20)11-19-14(2)15-7-9-18-10-8-15/h3-10,14,16,19-20H,11-12H2,1-2H3/t14-,16?/m1/s1
InChIKeyDHCXKCQUQMWSJM-IURRXHLWSA-N
XLogP2.48
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol with MolForge

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Related Compounds

1-[1-(4-ethylphenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 112768289
1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408747
1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 112768282
2-(2-methylphenoxy)-1-pyridin-4-ylethanol
CID 117246457
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 27319633
(2R)-1-(2,5-dimethylphenoxy)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 7024944
1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60902172
1-(4-bromophenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol
CID 60632771
1-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 111462130
1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 54332913
1-(2-tert-butylphenoxy)-3-(1-phenylethylamino)propan-2-ol chloride
CID 21237866
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 61469219

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol?
The IUPAC name of 1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol (CID 81396632) is 1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol?
The canonical SMILES for 1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol is Cc1ccccc1OCC(O)CN[C@H](C)c1ccncc1.
What is the InChIKey of 1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol?
The InChIKey is DHCXKCQUQMWSJM-IURRXHLWSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-5-3-4-6-17(13)21-12-16(20)11-19-14(2)15-7-9-18-10-8-15/h3-10,14,16,19-20H,11-12H2,1-2H3/t14-,16?/m1/s1.
What are the key properties of 1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol?
1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol has a molecular weight of 286.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol is sourced from PubChem (CID 81396632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).