1-[(5-bromo-2-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol

C12H17BrFNO2 — CID 62014573

IUPAC1-[(5-bromo-2-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)Cc1cc(Br)ccc1F
InChIInChI=1S/C12H17BrFNO2/c1-15(7-11(16)8-17-2)6-9-5-10(13)3-4-12(9)14/h3-5,11,16H,6-8H2,1-2H3
InChIKeyZCGFTEBWTJQCLB-UHFFFAOYSA-N
MW306.18 g/mol
LogP2.03
Rot. Bonds6

About 1-[(5-bromo-2-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol

1-[(5-bromo-2-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol (PubChem CID 62014573) has the molecular formula C12H17BrFNO2 and a molecular weight of 306.18 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol
PubChem CID62014573
Molecular FormulaC12H17BrFNO2
Molecular Weight306.18 g/mol
Exact Mass305.04
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)Cc1cc(Br)ccc1F
InChIInChI=1S/C12H17BrFNO2/c1-15(7-11(16)8-17-2)6-9-5-10(13)3-4-12(9)14/h3-5,11,16H,6-8H2,1-2H3
InChIKeyZCGFTEBWTJQCLB-UHFFFAOYSA-N
XLogP2.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzamide
CID 62015149
1-[(3-chloro-4-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 103883811
2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250941
1-(5-bromo-2-fluorophenyl)-3-propoxypropan-2-ol
CID 62607672
1-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol
CID 46798100
5-fluoro-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzenecarbothioamide
CID 63293236
1-[(5-chloro-2-nitrophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 79493100
N-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 115252866
1-[5-bromo-2-(hydroxymethyl)-N-methylanilino]-3-methoxypropan-2-ol
CID 54994295
3-(4-bromo-2-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 110903881
3-bromo-4-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzohydrazide
CID 102774672
1-[(5-bromo-2-fluorophenyl)methylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989579

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol (CID 62014573) is 1-[(5-bromo-2-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol?
The InChIKey is ZCGFTEBWTJQCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO2/c1-15(7-11(16)8-17-2)6-9-5-10(13)3-4-12(9)14/h3-5,11,16H,6-8H2,1-2H3.
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol?
1-[(5-bromo-2-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol has a molecular weight of 306.18 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenyl)methyl-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 62014573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).