1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol

C12H15BrFNO2 — CID 113465059

IUPAC1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol
SMILESC=C(Br)CNCC(O)COc1ccccc1F
InChIInChI=1S/C12H15BrFNO2/c1-9(13)6-15-7-10(16)8-17-12-5-3-2-4-11(12)14/h2-5,10,15-16H,1,6-8H2
InChIKeyQNAZVVLSDNBGFD-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.06
Rot. Bonds7

About 1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol

1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol (PubChem CID 113465059) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol
PubChem CID113465059
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol
SMILESC=C(Br)CNCC(O)COc1ccccc1F
InChIInChI=1S/C12H15BrFNO2/c1-9(13)6-15-7-10(16)8-17-12-5-3-2-4-11(12)14/h2-5,10,15-16H,1,6-8H2
InChIKeyQNAZVVLSDNBGFD-UHFFFAOYSA-N
XLogP2.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904476
1-(2,3-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 64569714
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64910592
6-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851621
1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 103461242
1-[[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol
CID 65108883
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butanamide
CID 54937821
methyl 3-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]propanoate
CID 54935588
1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616905
1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635358
3-(2-fluorophenoxy)-2-hydroxypropan-1-olate
CID 45496401

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol (CID 113465059) is 1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol is C=C(Br)CNCC(O)COc1ccccc1F.
What is the InChIKey of 1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol?
The InChIKey is QNAZVVLSDNBGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-9(13)6-15-7-10(16)8-17-12-5-3-2-4-11(12)14/h2-5,10,15-16H,1,6-8H2.
What are the key properties of 1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol?
1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol has a molecular weight of 304.16 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 113465059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).