1-(3-bromophenoxy)-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol

C15H18BrNO3 — CID 81399740

IUPAC1-(3-bromophenoxy)-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol
SMILESC[C@H](NCC(O)COc1cccc(Br)c1)c1ccco1
InChIInChI=1S/C15H18BrNO3/c1-11(15-6-3-7-19-15)17-9-13(18)10-20-14-5-2-4-12(16)8-14/h2-8,11,13,17-18H,9-10H2,1H3/t11-,13?/m0/s1
InChIKeyPKJANKAGUCCPMY-AMGKYWFPSA-N
MW340.22 g/mol
LogP3.13
Rot. Bonds7

About 1-(3-bromophenoxy)-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol

1-(3-bromophenoxy)-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol (PubChem CID 81399740) has the molecular formula C15H18BrNO3 and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-(3-bromophenoxy)-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenoxy)-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol
PubChem CID81399740
Molecular FormulaC15H18BrNO3
Molecular Weight340.22 g/mol
Exact Mass339.05
IUPAC Name1-(3-bromophenoxy)-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol
SMILESC[C@H](NCC(O)COc1cccc(Br)c1)c1ccco1
InChIInChI=1S/C15H18BrNO3/c1-11(15-6-3-7-19-15)17-9-13(18)10-20-14-5-2-4-12(16)8-14/h2-8,11,13,17-18H,9-10H2,1H3/t11-,13?/m0/s1
InChIKeyPKJANKAGUCCPMY-AMGKYWFPSA-N
XLogP3.13
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol
CID 60909460
1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63867364
1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol
CID 54938857
2-[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464656
1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol
CID 81392115
2-(3-bromophenoxy)-N-[1-(furan-2-yl)ethyl]acetamide
CID 18196815
1-(3-bromophenoxy)-3-(pent-4-en-2-ylamino)propan-2-ol
CID 113466518
methyl 2-[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]-3-methylbutanoate
CID 60910386
2-[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103913988
3-(3-bromophenoxy)-2-(furan-2-yl)propanoic acid
CID 117241020
1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol
CID 54938711
1-(3-bromophenoxy)-3-(but-2-ynylamino)propan-2-ol
CID 113464617

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenoxy)-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol?
The IUPAC name of 1-(3-bromophenoxy)-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol (CID 81399740) is 1-(3-bromophenoxy)-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol.
What is the SMILES notation for 1-(3-bromophenoxy)-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol?
The canonical SMILES for 1-(3-bromophenoxy)-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol is C[C@H](NCC(O)COc1cccc(Br)c1)c1ccco1.
What is the InChIKey of 1-(3-bromophenoxy)-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol?
The InChIKey is PKJANKAGUCCPMY-AMGKYWFPSA-N. The full InChI is InChI=1S/C15H18BrNO3/c1-11(15-6-3-7-19-15)17-9-13(18)10-20-14-5-2-4-12(16)8-14/h2-8,11,13,17-18H,9-10H2,1H3/t11-,13?/m0/s1.
What are the key properties of 1-(3-bromophenoxy)-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol?
1-(3-bromophenoxy)-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol has a molecular weight of 340.22 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenoxy)-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 81399740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).