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

C17H22N2O2 — CID 81393836

IUPAC1-phenylmethoxy-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
SMILESC[C@@H](NCC(O)COCc1ccccc1)c1cccnc1
InChIInChI=1S/C17H22N2O2/c1-14(16-8-5-9-18-10-16)19-11-17(20)13-21-12-15-6-3-2-4-7-15/h2-10,14,17,19-20H,11-13H2,1H3/t14-,17?/m1/s1
InChIKeyHBHOEQJERZGFJO-XPCCGILXSA-N
MW286.38 g/mol
LogP2.31
Rot. Bonds8

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

1-phenylmethoxy-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol (PubChem CID 81393836) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-phenylmethoxy-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-phenylmethoxy-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
PubChem CID81393836
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-phenylmethoxy-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
SMILESC[C@@H](NCC(O)COCc1ccccc1)c1cccnc1
InChIInChI=1S/C17H22N2O2/c1-14(16-8-5-9-18-10-16)19-11-17(20)13-21-12-15-6-3-2-4-7-15/h2-10,14,17,19-20H,11-13H2,1H3/t14-,17?/m1/s1
InChIKeyHBHOEQJERZGFJO-XPCCGILXSA-N
XLogP2.31
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 110904741
1-(cyclopropylmethoxy)-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81404785
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81405230
1-phenyl-2-(1-pyridin-3-ylethylamino)ethanol
CID 43499221
1-[1-(3,4-difluorophenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 110877396
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81404417
1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954638
1-[[(1S)-1-pyridin-3-ylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81405111
1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol
CID 61469295
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine
CID 104893867

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol?
The IUPAC name of 1-phenylmethoxy-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol (CID 81393836) is 1-phenylmethoxy-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-phenylmethoxy-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol?
The canonical SMILES for 1-phenylmethoxy-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol is C[C@@H](NCC(O)COCc1ccccc1)c1cccnc1.
What is the InChIKey of 1-phenylmethoxy-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol?
The InChIKey is HBHOEQJERZGFJO-XPCCGILXSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-14(16-8-5-9-18-10-16)19-11-17(20)13-21-12-15-6-3-2-4-7-15/h2-10,14,17,19-20H,11-13H2,1H3/t14-,17?/m1/s1.
What are the key properties of 1-phenylmethoxy-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol?
1-phenylmethoxy-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol has a molecular weight of 286.38 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol is sourced from PubChem (CID 81393836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).