1-(3-bromophenoxy)-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol

C14H18BrN3O2 — CID 63302598

IUPAC1-(3-bromophenoxy)-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol
SMILESCn1nccc1CNCC(O)COc1cccc(Br)c1
InChIInChI=1S/C14H18BrN3O2/c1-18-12(5-6-17-18)8-16-9-13(19)10-20-14-4-2-3-11(15)7-14/h2-7,13,16,19H,8-10H2,1H3
InChIKeyXZPBQJKBJWDDQE-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.71
Rot. Bonds7

About 1-(3-bromophenoxy)-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol

1-(3-bromophenoxy)-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol (PubChem CID 63302598) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 1-(3-bromophenoxy)-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenoxy)-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol
PubChem CID63302598
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name1-(3-bromophenoxy)-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol
SMILESCn1nccc1CNCC(O)COc1cccc(Br)c1
InChIInChI=1S/C14H18BrN3O2/c1-18-12(5-6-17-18)8-16-9-13(19)10-20-14-4-2-3-11(15)7-14/h2-7,13,16,19H,8-10H2,1H3
InChIKeyXZPBQJKBJWDDQE-UHFFFAOYSA-N
XLogP1.71
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromophenoxy)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106372776
1-(3-bromophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60632931
1-(3-bromophenoxy)-3-(but-2-ynylamino)propan-2-ol
CID 113464617
1-(3-bromophenoxy)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol
CID 60658614
3-[[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol
CID 65111894
1-(3-bromophenoxy)-3-(octylamino)propan-2-ol
CID 115567734
1-(4-methylpentan-2-yloxy)-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 63302466
1-(3-bromophenoxy)-3-(3-propan-2-yloxypropylamino)propan-2-ol
CID 4555054
1-(3-bromophenoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol
CID 78960895
1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 103157779
1-(3-bromophenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol
CID 115454685
(2R)-1-(3-bromophenoxy)pentan-2-ol
CID 159297241

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenoxy)-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(3-bromophenoxy)-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol (CID 63302598) is 1-(3-bromophenoxy)-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(3-bromophenoxy)-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(3-bromophenoxy)-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol is Cn1nccc1CNCC(O)COc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenoxy)-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol?
The InChIKey is XZPBQJKBJWDDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-18-12(5-6-17-18)8-16-9-13(19)10-20-14-4-2-3-11(15)7-14/h2-7,13,16,19H,8-10H2,1H3.
What are the key properties of 1-(3-bromophenoxy)-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol?
1-(3-bromophenoxy)-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol has a molecular weight of 340.22 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenoxy)-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 63302598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).