1-[[(1S)-1-(4-bromophenyl)ethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol

C16H20BrNO3 — CID 81352394

IUPAC1-[[(1S)-1-(4-bromophenyl)ethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESC[C@H](NCC(O)COCc1ccco1)c1ccc(Br)cc1
InChIInChI=1S/C16H20BrNO3/c1-12(13-4-6-14(17)7-5-13)18-9-15(19)10-20-11-16-3-2-8-21-16/h2-8,12,15,18-19H,9-11H2,1H3/t12-,15?/m0/s1
InChIKeyUHRGSELMVHKNCO-SFVWDYPZSA-N
MW354.24 g/mol
LogP3.27
Rot. Bonds8

About 1-[[(1S)-1-(4-bromophenyl)ethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol

1-[[(1S)-1-(4-bromophenyl)ethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 81352394) has the molecular formula C16H20BrNO3 and a molecular weight of 354.24 g/mol. Its IUPAC name is 1-[[(1S)-1-(4-bromophenyl)ethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[(1S)-1-(4-bromophenyl)ethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID81352394
Molecular FormulaC16H20BrNO3
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC Name1-[[(1S)-1-(4-bromophenyl)ethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESC[C@H](NCC(O)COCc1ccco1)c1ccc(Br)cc1
InChIInChI=1S/C16H20BrNO3/c1-12(13-4-6-14(17)7-5-13)18-9-15(19)10-20-11-16-3-2-8-21-16/h2-8,12,15,18-19H,9-11H2,1H3/t12-,15?/m0/s1
InChIKeyUHRGSELMVHKNCO-SFVWDYPZSA-N
XLogP3.27
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine
CID 43205746
4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol
CID 113376215
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol
CID 62306419
2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4-methylpentan-1-ol
CID 61245995
1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 81388401
1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol
CID 60649357
1-(furan-2-ylmethoxy)-3-(2-methoxyethoxyamino)propan-2-ol
CID 82721549
1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol
CID 60899568
1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol
CID 60633241
1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60635601

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-(4-bromophenyl)ethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[[(1S)-1-(4-bromophenyl)ethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol (CID 81352394) is 1-[[(1S)-1-(4-bromophenyl)ethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[[(1S)-1-(4-bromophenyl)ethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[[(1S)-1-(4-bromophenyl)ethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol is C[C@H](NCC(O)COCc1ccco1)c1ccc(Br)cc1.
What is the InChIKey of 1-[[(1S)-1-(4-bromophenyl)ethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is UHRGSELMVHKNCO-SFVWDYPZSA-N. The full InChI is InChI=1S/C16H20BrNO3/c1-12(13-4-6-14(17)7-5-13)18-9-15(19)10-20-11-16-3-2-8-21-16/h2-8,12,15,18-19H,9-11H2,1H3/t12-,15?/m0/s1.
What are the key properties of 1-[[(1S)-1-(4-bromophenyl)ethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol?
1-[[(1S)-1-(4-bromophenyl)ethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 354.24 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-(4-bromophenyl)ethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 81352394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).