1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol

C13H18BrNO2 — CID 55066785

IUPAC1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
SMILESOC(CNC1CCC1)COc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO2/c14-10-4-6-13(7-5-10)17-9-12(16)8-15-11-2-1-3-11/h4-7,11-12,15-16H,1-3,8-9H2
InChIKeyJAXWDPQVGJYOII-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.33
Rot. Bonds6

About 1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol

1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol (PubChem CID 55066785) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
PubChem CID55066785
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
SMILESOC(CNC1CCC1)COc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO2/c14-10-4-6-13(7-5-10)17-9-12(16)8-15-11-2-1-3-11/h4-7,11-12,15-16H,1-3,8-9H2
InChIKeyJAXWDPQVGJYOII-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-[2-(4-bromophenoxy)ethoxy]-3-(cyclohexylamino)propan-2-ol
CID 11835432
1-(4-bromophenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 60632582
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017
4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
CID 93381192
1-(4-bromophenoxy)-3-[[(1R)-1-cyclopentylethyl]amino]propan-2-ol
CID 81395650
1-[2-(4-bromophenoxy)ethoxy]-3-(oxan-4-ylamino)propan-2-ol
CID 122714573
1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
CID 2966544
1-(cyclopropylamino)-3-(2,4-dibromophenoxy)propan-2-ol
CID 64719747
(2S)-1-(4-fluorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 93386645
1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol
CID 111104815

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol?
The IUPAC name of 1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol (CID 55066785) is 1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol.
What is the SMILES notation for 1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol?
The canonical SMILES for 1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol is OC(CNC1CCC1)COc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol?
The InChIKey is JAXWDPQVGJYOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c14-10-4-6-13(7-5-10)17-9-12(16)8-15-11-2-1-3-11/h4-7,11-12,15-16H,1-3,8-9H2.
What are the key properties of 1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol?
1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol has a molecular weight of 300.20 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol is sourced from PubChem (CID 55066785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).