1-(4-bromophenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol

C16H19BrN2O2 — CID 60632771

IUPAC1-(4-bromophenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol
SMILESCC(NCC(O)COc1ccc(Br)cc1)c1ccncc1
InChIInChI=1S/C16H19BrN2O2/c1-12(13-6-8-18-9-7-13)19-10-15(20)11-21-16-4-2-14(17)3-5-16/h2-9,12,15,19-20H,10-11H2,1H3
InChIKeyGJDNSZXDARJGTQ-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.93
Rot. Bonds7

About 1-(4-bromophenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol

1-(4-bromophenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol (PubChem CID 60632771) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol
PubChem CID60632771
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name1-(4-bromophenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol
SMILESCC(NCC(O)COc1ccc(Br)cc1)c1ccncc1
InChIInChI=1S/C16H19BrN2O2/c1-12(13-6-8-18-9-7-13)19-10-15(20)11-21-16-4-2-14(17)3-5-16/h2-9,12,15,19-20H,10-11H2,1H3
InChIKeyGJDNSZXDARJGTQ-UHFFFAOYSA-N
XLogP2.93
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenoxy)-3-(propan-2-ylamino)propan-2-ol chloride
CID 46863817
1-(4-bromophenoxy)-3-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408393
1-(3-chlorophenoxy)-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81394090
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-(2-butoxyethoxy)-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81395520
1-(4-bromophenoxy)-3-(3,3-dimethylbutan-2-ylamino)propan-2-ol
CID 115627467
(2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 7025078
(2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol
CID 75444116
1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63867364
1-[2-(4-bromophenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol chloride
CID 53347434
methyl 2-[[3-(4-bromophenoxy)-2-hydroxypropyl]amino]-3-methylbutanoate
CID 60910249

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol?
The IUPAC name of 1-(4-bromophenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol (CID 60632771) is 1-(4-bromophenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-bromophenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol?
The canonical SMILES for 1-(4-bromophenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol is CC(NCC(O)COc1ccc(Br)cc1)c1ccncc1.
What is the InChIKey of 1-(4-bromophenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol?
The InChIKey is GJDNSZXDARJGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-12(13-6-8-18-9-7-13)19-10-15(20)11-21-16-4-2-14(17)3-5-16/h2-9,12,15,19-20H,10-11H2,1H3.
What are the key properties of 1-(4-bromophenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol?
1-(4-bromophenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol has a molecular weight of 351.24 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-3-(1-pyridin-4-ylethylamino)propan-2-ol is sourced from PubChem (CID 60632771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).