1-[2-(4-bromophenyl)morpholin-4-yl]-3-(1-phenylethoxy)propan-2-ol;hydrochloride

C21H27BrClNO3 — CID 138960683

IUPAC1-[2-(4-bromophenyl)morpholin-4-yl]-3-(1-phenylethoxy)propan-2-ol;hydrochloride
SMILESCC(OCC(O)CN1CCOC(c2ccc(Br)cc2)C1)c1ccccc1.Cl
InChIInChI=1S/C21H26BrNO3.ClH/c1-16(17-5-3-2-4-6-17)26-15-20(24)13-23-11-12-25-21(14-23)18-7-9-19(22)10-8-18;/h2-10,16,20-21,24H,11-15H2,1H3;1H
InChIKeyJTSSBAWCJLUCEA-UHFFFAOYSA-N
MW456.81 g/mol
LogP4.38
Rot. Bonds7

About 1-[2-(4-bromophenyl)morpholin-4-yl]-3-(1-phenylethoxy)propan-2-ol;hydrochloride

1-[2-(4-bromophenyl)morpholin-4-yl]-3-(1-phenylethoxy)propan-2-ol;hydrochloride (PubChem CID 138960683) has the molecular formula C21H27BrClNO3 and a molecular weight of 456.81 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)morpholin-4-yl]-3-(1-phenylethoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)morpholin-4-yl]-3-(1-phenylethoxy)propan-2-ol;hydrochloride
PubChem CID138960683
Molecular FormulaC21H27BrClNO3
Molecular Weight456.81 g/mol
Exact Mass455.09
IUPAC Name1-[2-(4-bromophenyl)morpholin-4-yl]-3-(1-phenylethoxy)propan-2-ol;hydrochloride
SMILESCC(OCC(O)CN1CCOC(c2ccc(Br)cc2)C1)c1ccccc1.Cl
InChIInChI=1S/C21H26BrNO3.ClH/c1-16(17-5-3-2-4-6-17)26-15-20(24)13-23-11-12-25-21(14-23)18-7-9-19(22)10-8-18;/h2-10,16,20-21,24H,11-15H2,1H3;1H
InChIKeyJTSSBAWCJLUCEA-UHFFFAOYSA-N
XLogP4.38
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.81
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol
CID 138960645
1-benzhydryloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol
CID 138959078
1-[2-(3-fluorophenyl)morpholin-4-yl]-3-(1-phenylpropoxy)propan-2-ol;hydrochloride
CID 138959001
1-benzhydryloxy-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol
CID 138958979
1-[1-(4-chlorophenyl)ethoxy]-3-(2-methylmorpholin-4-yl)propan-2-ol
CID 110882740
4-(2-methylpropyl)-2-phenylmorpholine
CID 6430937
4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile
CID 110885577
1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride
CID 138959987
1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-butan-2-ylphenoxy)propan-2-ol
CID 138959998
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138959039
1-[2-(3-fluorophenyl)morpholin-4-yl]-3-phenoxypropan-2-ol;hydrochloride
CID 138958982
1-[2-(4-bromophenyl)morpholin-4-yl]-2-methylpropan-2-amine;hydrochloride
CID 120847988

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)morpholin-4-yl]-3-(1-phenylethoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-[2-(4-bromophenyl)morpholin-4-yl]-3-(1-phenylethoxy)propan-2-ol;hydrochloride (CID 138960683) is 1-[2-(4-bromophenyl)morpholin-4-yl]-3-(1-phenylethoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[2-(4-bromophenyl)morpholin-4-yl]-3-(1-phenylethoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[2-(4-bromophenyl)morpholin-4-yl]-3-(1-phenylethoxy)propan-2-ol;hydrochloride is CC(OCC(O)CN1CCOC(c2ccc(Br)cc2)C1)c1ccccc1.Cl.
What is the InChIKey of 1-[2-(4-bromophenyl)morpholin-4-yl]-3-(1-phenylethoxy)propan-2-ol;hydrochloride?
The InChIKey is JTSSBAWCJLUCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrNO3.ClH/c1-16(17-5-3-2-4-6-17)26-15-20(24)13-23-11-12-25-21(14-23)18-7-9-19(22)10-8-18;/h2-10,16,20-21,24H,11-15H2,1H3;1H.
What are the key properties of 1-[2-(4-bromophenyl)morpholin-4-yl]-3-(1-phenylethoxy)propan-2-ol;hydrochloride?
1-[2-(4-bromophenyl)morpholin-4-yl]-3-(1-phenylethoxy)propan-2-ol;hydrochloride has a molecular weight of 456.81 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)morpholin-4-yl]-3-(1-phenylethoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 138960683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).