1-(3-bromophenyl)-2-(1-morpholin-4-ylpropan-2-ylamino)ethanol

C15H23BrN2O2 — CID 60969893

IUPAC1-(3-bromophenyl)-2-(1-morpholin-4-ylpropan-2-ylamino)ethanol
SMILESCC(CN1CCOCC1)NCC(O)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-12(11-18-5-7-20-8-6-18)17-10-15(19)13-3-2-4-14(16)9-13/h2-4,9,12,15,17,19H,5-8,10-11H2,1H3
InChIKeyCPSUFYGXBDMPGB-UHFFFAOYSA-N
MW343.26 g/mol
LogP1.79
Rot. Bonds6

About 1-(3-bromophenyl)-2-(1-morpholin-4-ylpropan-2-ylamino)ethanol

1-(3-bromophenyl)-2-(1-morpholin-4-ylpropan-2-ylamino)ethanol (PubChem CID 60969893) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(1-morpholin-4-ylpropan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(1-morpholin-4-ylpropan-2-ylamino)ethanol
PubChem CID60969893
Molecular FormulaC15H23BrN2O2
Molecular Weight343.26 g/mol
Exact Mass342.09
IUPAC Name1-(3-bromophenyl)-2-(1-morpholin-4-ylpropan-2-ylamino)ethanol
SMILESCC(CN1CCOCC1)NCC(O)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2O2/c1-12(11-18-5-7-20-8-6-18)17-10-15(19)13-3-2-4-14(16)9-13/h2-4,9,12,15,17,19H,5-8,10-11H2,1H3
InChIKeyCPSUFYGXBDMPGB-UHFFFAOYSA-N
XLogP1.79
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
CID 43779491
4-[2-(3-bromophenyl)propyl]morpholine
CID 12805117
(1S)-1-(1,3-benzodioxol-5-yl)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]ethanol
CID 95264989
2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol
CID 82130110
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CID 78966951
1-(3-bromophenyl)-2-(hexan-2-ylamino)ethanol
CID 55050060
(2R)-1-(1-morpholin-4-ylpropan-2-ylamino)propan-2-ol
CID 106931969
1-(3-bromophenyl)-2-(heptan-2-ylamino)ethanol
CID 60734300
3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]butanamide
CID 115894656
1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867516
1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol
CID 60734196
1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol
CID 54938857

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(1-morpholin-4-ylpropan-2-ylamino)ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(1-morpholin-4-ylpropan-2-ylamino)ethanol (CID 60969893) is 1-(3-bromophenyl)-2-(1-morpholin-4-ylpropan-2-ylamino)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(1-morpholin-4-ylpropan-2-ylamino)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(1-morpholin-4-ylpropan-2-ylamino)ethanol is CC(CN1CCOCC1)NCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(1-morpholin-4-ylpropan-2-ylamino)ethanol?
The InChIKey is CPSUFYGXBDMPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-12(11-18-5-7-20-8-6-18)17-10-15(19)13-3-2-4-14(16)9-13/h2-4,9,12,15,17,19H,5-8,10-11H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(1-morpholin-4-ylpropan-2-ylamino)ethanol?
1-(3-bromophenyl)-2-(1-morpholin-4-ylpropan-2-ylamino)ethanol has a molecular weight of 343.26 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(1-morpholin-4-ylpropan-2-ylamino)ethanol is sourced from PubChem (CID 60969893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).