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

C16H19ClN2O2 — CID 81394090

IUPAC1-(3-chlorophenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
SMILESC[C@@H](NCC(O)COc1cccc(Cl)c1)c1ccncc1
InChIInChI=1S/C16H19ClN2O2/c1-12(13-5-7-18-8-6-13)19-10-15(20)11-21-16-4-2-3-14(17)9-16/h2-9,12,15,19-20H,10-11H2,1H3/t12-,15?/m1/s1
InChIKeyWLWDHAYGSJPVFP-KEKZHRQWSA-N
MW306.79 g/mol
LogP2.83
Rot. Bonds7

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

1-(3-chlorophenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol (PubChem CID 81394090) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
PubChem CID81394090
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-(3-chlorophenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
SMILESC[C@@H](NCC(O)COc1cccc(Cl)c1)c1ccncc1
InChIInChI=1S/C16H19ClN2O2/c1-12(13-5-7-18-8-6-13)19-10-15(20)11-21-16-4-2-3-14(17)9-16/h2-9,12,15,19-20H,10-11H2,1H3/t12-,15?/m1/s1
InChIKeyWLWDHAYGSJPVFP-KEKZHRQWSA-N
XLogP2.83
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(3-chlorophenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 60632879
1-[1-(3-chlorophenyl)ethylamino]-3-(3,4-dimethylphenoxy)propan-2-ol
CID 138960435
1-(4-bromophenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol
CID 60632771
1-(4-bromophenoxy)-3-[1-(3-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
CID 138960458
1-(2-methylphenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81396632
1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63867364
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103914300
1-(3-chlorophenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
CID 64643980
1-(3,4-dimethylphenoxy)-3-(1-phenylethylamino)propan-2-ol chloride
CID 21237830
1-[1-(3-chlorophenyl)ethylamino]-3-(2-methoxyphenoxy)propan-2-ol
CID 138960443
1-[1-(3-chlorophenyl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 112768282
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-ethyl-N-methylpropanamide
CID 103108426

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol?
The IUPAC name of 1-(3-chlorophenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol (CID 81394090) is 1-(3-chlorophenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-(3-chlorophenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol?
The canonical SMILES for 1-(3-chlorophenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol is C[C@@H](NCC(O)COc1cccc(Cl)c1)c1ccncc1.
What is the InChIKey of 1-(3-chlorophenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol?
The InChIKey is WLWDHAYGSJPVFP-KEKZHRQWSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-12(13-5-7-18-8-6-13)19-10-15(20)11-21-16-4-2-3-14(17)9-16/h2-9,12,15,19-20H,10-11H2,1H3/t12-,15?/m1/s1.
What are the key properties of 1-(3-chlorophenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol?
1-(3-chlorophenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol has a molecular weight of 306.79 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol is sourced from PubChem (CID 81394090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).