1-[(3-bromophenyl)methoxy]-3-(methylamino)propan-2-ol

C11H16BrNO2 — CID 82828408

IUPAC1-[(3-bromophenyl)methoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COCc1cccc(Br)c1
InChIInChI=1S/C11H16BrNO2/c1-13-6-11(14)8-15-7-9-3-2-4-10(12)5-9/h2-5,11,13-14H,6-8H2,1H3
InChIKeyGQHZLAMQTZJQGM-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.55
Rot. Bonds6

About 1-[(3-bromophenyl)methoxy]-3-(methylamino)propan-2-ol

1-[(3-bromophenyl)methoxy]-3-(methylamino)propan-2-ol (PubChem CID 82828408) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(3-bromophenyl)methoxy]-3-(methylamino)propan-2-ol
PubChem CID82828408
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name1-[(3-bromophenyl)methoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COCc1cccc(Br)c1
InChIInChI=1S/C11H16BrNO2/c1-13-6-11(14)8-15-7-9-3-2-4-10(12)5-9/h2-5,11,13-14H,6-8H2,1H3
InChIKeyGQHZLAMQTZJQGM-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 61401206
methyl 2-bromo-3-[(3-bromophenyl)methoxy]propanoate
CID 82828519
1-(3-aminophenoxy)-3-[(3-bromophenyl)methoxy]propan-2-ol
CID 82804779
1-bromo-3-(propoxymethyl)benzene
CID 57057286
3-[(3-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine
CID 103075001
1-(3-aminophenyl)-2-[(3-bromophenyl)methoxy]ethanol
CID 82828468
2-[(3-bromophenyl)methoxymethyl]butane-1-thiol
CID 82827411
1-[(3-bromophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 61401180
1-(2-aminophenyl)-2-[(3-bromophenyl)methoxy]ethanol
CID 82828389
1-bromo-3-(4-methylpentoxymethyl)benzene
CID 55219648
1-[1-(methylamino)propan-2-yloxy]-3-phenylmethoxypropan-2-ol
CID 106939509
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methoxy]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[(3-bromophenyl)methoxy]-3-(methylamino)propan-2-ol (CID 82828408) is 1-[(3-bromophenyl)methoxy]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[(3-bromophenyl)methoxy]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[(3-bromophenyl)methoxy]-3-(methylamino)propan-2-ol is CNCC(O)COCc1cccc(Br)c1.
What is the InChIKey of 1-[(3-bromophenyl)methoxy]-3-(methylamino)propan-2-ol?
The InChIKey is GQHZLAMQTZJQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-13-6-11(14)8-15-7-9-3-2-4-10(12)5-9/h2-5,11,13-14H,6-8H2,1H3.
What are the key properties of 1-[(3-bromophenyl)methoxy]-3-(methylamino)propan-2-ol?
1-[(3-bromophenyl)methoxy]-3-(methylamino)propan-2-ol has a molecular weight of 274.16 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 82828408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).