1-(3-bromophenoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol

C15H23BrN2O3 — CID 78960895

IUPAC1-(3-bromophenoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol
SMILESCN1CCOC(CNCC(O)COc2cccc(Br)c2)C1
InChIInChI=1S/C15H23BrN2O3/c1-18-5-6-20-15(10-18)9-17-8-13(19)11-21-14-4-2-3-12(16)7-14/h2-4,7,13,15,17,19H,5-6,8-11H2,1H3
InChIKeyAZRLSKLPKYINPI-UHFFFAOYSA-N
MW359.26 g/mol
LogP1.11
Rot. Bonds7

About 1-(3-bromophenoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol

1-(3-bromophenoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol (PubChem CID 78960895) has the molecular formula C15H23BrN2O3 and a molecular weight of 359.26 g/mol. Its IUPAC name is 1-(3-bromophenoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol
PubChem CID78960895
Molecular FormulaC15H23BrN2O3
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC Name1-(3-bromophenoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol
SMILESCN1CCOC(CNCC(O)COc2cccc(Br)c2)C1
InChIInChI=1S/C15H23BrN2O3/c1-18-5-6-20-15(10-18)9-17-8-13(19)11-21-14-4-2-3-12(16)7-14/h2-4,7,13,15,17,19H,5-6,8-11H2,1H3
InChIKeyAZRLSKLPKYINPI-UHFFFAOYSA-N
XLogP1.11
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[[(2R)-4-methylmorpholin-2-yl]methylamino]-3-phenylmethoxypropan-2-ol
CID 95751212
(1R)-1-(4-bromophenyl)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]ethanol
CID 95751208
1-(3-bromophenoxy)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol
CID 60658614
1-(3-methoxyphenoxy)-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 60633751
1-(cyclopropylmethoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol
CID 78945247
1-(3-bromophenoxy)-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 63302598
(1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81381423
1-[(4-methylmorpholin-2-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol
CID 78945233
1-(3-bromophenoxy)-3-(but-2-ynylamino)propan-2-ol
CID 113464617
4-[(2R)-3-[[(2R)-4-ethylmorpholin-2-yl]methylamino]-2-hydroxypropoxy]benzonitrile
CID 100844104
1-(3-bromophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60632931
1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
CID 95160732

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(3-bromophenoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol (CID 78960895) is 1-(3-bromophenoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(3-bromophenoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(3-bromophenoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol is CN1CCOC(CNCC(O)COc2cccc(Br)c2)C1.
What is the InChIKey of 1-(3-bromophenoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol?
The InChIKey is AZRLSKLPKYINPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3/c1-18-5-6-20-15(10-18)9-17-8-13(19)11-21-14-4-2-3-12(16)7-14/h2-4,7,13,15,17,19H,5-6,8-11H2,1H3.
What are the key properties of 1-(3-bromophenoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol?
1-(3-bromophenoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol has a molecular weight of 359.26 g/mol, XLogP of 1.11, 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-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 78960895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).