4-[[(1R)-1-(3-bromophenyl)ethyl]amino]oxolan-3-ol

C12H16BrNO2 — CID 81381501

IUPAC4-[[(1R)-1-(3-bromophenyl)ethyl]amino]oxolan-3-ol
SMILESC[C@@H](NC1COCC1O)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-8(9-3-2-4-10(13)5-9)14-11-6-16-7-12(11)15/h2-5,8,11-12,14-15H,6-7H2,1H3/t8-,11?,12?/m1/s1
InChIKeyVOKHTVVXFWEEMF-HUUUCTMMSA-N
MW286.17 g/mol
LogP1.86
Rot. Bonds3

About 4-[[(1R)-1-(3-bromophenyl)ethyl]amino]oxolan-3-ol

4-[[(1R)-1-(3-bromophenyl)ethyl]amino]oxolan-3-ol (PubChem CID 81381501) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-[[(1R)-1-(3-bromophenyl)ethyl]amino]oxolan-3-ol.

Molecular Properties

Compound Name4-[[(1R)-1-(3-bromophenyl)ethyl]amino]oxolan-3-ol
PubChem CID81381501
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name4-[[(1R)-1-(3-bromophenyl)ethyl]amino]oxolan-3-ol
SMILESC[C@@H](NC1COCC1O)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-8(9-3-2-4-10(13)5-9)14-11-6-16-7-12(11)15/h2-5,8,11-12,14-15H,6-7H2,1H3/t8-,11?,12?/m1/s1
InChIKeyVOKHTVVXFWEEMF-HUUUCTMMSA-N
XLogP1.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1S)-1-(4-methylphenyl)ethyl]amino]oxolan-3-ol
CID 81355689
N-[1-(3-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 43673221
N-[1-(3-bromophenyl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148988
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572
1-N-[(1S)-1-(3-bromophenyl)ethyl]cyclobutane-1,3-diamine
CID 81382055
N-[1-(3-bromophenyl)ethyl]-2-methylthian-3-amine
CID 79957820
N-[(1R)-1-(3-bromophenyl)ethyl]-1,1-dioxothian-4-amine
CID 81381818
N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43426724
N-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81381610
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81382206
N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81381354
1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43426728

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-(3-bromophenyl)ethyl]amino]oxolan-3-ol?
The IUPAC name of 4-[[(1R)-1-(3-bromophenyl)ethyl]amino]oxolan-3-ol (CID 81381501) is 4-[[(1R)-1-(3-bromophenyl)ethyl]amino]oxolan-3-ol.
What is the SMILES notation for 4-[[(1R)-1-(3-bromophenyl)ethyl]amino]oxolan-3-ol?
The canonical SMILES for 4-[[(1R)-1-(3-bromophenyl)ethyl]amino]oxolan-3-ol is C[C@@H](NC1COCC1O)c1cccc(Br)c1.
What is the InChIKey of 4-[[(1R)-1-(3-bromophenyl)ethyl]amino]oxolan-3-ol?
The InChIKey is VOKHTVVXFWEEMF-HUUUCTMMSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8(9-3-2-4-10(13)5-9)14-11-6-16-7-12(11)15/h2-5,8,11-12,14-15H,6-7H2,1H3/t8-,11?,12?/m1/s1.
What are the key properties of 4-[[(1R)-1-(3-bromophenyl)ethyl]amino]oxolan-3-ol?
4-[[(1R)-1-(3-bromophenyl)ethyl]amino]oxolan-3-ol has a molecular weight of 286.17 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-(3-bromophenyl)ethyl]amino]oxolan-3-ol is sourced from PubChem (CID 81381501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).