1-morpholin-4-yl-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol

C23H32N2O3 — CID 45204618

IUPAC1-morpholin-4-yl-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol
SMILESOC(COc1cccc(CNCCCc2ccccc2)c1)CN1CCOCC1
InChIInChI=1S/C23H32N2O3/c26-22(18-25-12-14-27-15-13-25)19-28-23-10-4-8-21(16-23)17-24-11-5-9-20-6-2-1-3-7-20/h1-4,6-8,10,16,22,24,26H,5,9,11-15,17-19H2
InChIKeyRWKSCBRZFLGXMI-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.48
Rot. Bonds11

About 1-morpholin-4-yl-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol

1-morpholin-4-yl-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol (PubChem CID 45204618) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol
PubChem CID45204618
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name1-morpholin-4-yl-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol
SMILESOC(COc1cccc(CNCCCc2ccccc2)c1)CN1CCOCC1
InChIInChI=1S/C23H32N2O3/c26-22(18-25-12-14-27-15-13-25)19-28-23-10-4-8-21(16-23)17-24-11-5-9-20-6-2-1-3-7-20/h1-4,6-8,10,16,22,24,26H,5,9,11-15,17-19H2
InChIKeyRWKSCBRZFLGXMI-UHFFFAOYSA-N
XLogP2.48
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[(2-morpholin-4-ylethylamino)methyl]phenoxy]propan-2-ol
CID 29028407
(2R)-1-[3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 30851994
(2R)-1-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 28957196
1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 43253326
(2S)-1-[3-(1,3-dihydroisoindol-2-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97271303
(2S)-1-[2-methoxy-4-[(2-phenoxyethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 29027193
1-(azepan-1-yl)-3-[3-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol
CID 72839922
(2R)-1-(azepan-1-yl)-3-[2-methoxy-4-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol
CID 25369320
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[(2-phenoxyethylamino)methyl]phenoxy]propan-2-ol
CID 26406279
1-[(2S)-2-hydroxy-3-[3-[(3-propan-2-yloxypropylamino)methyl]phenoxy]propyl]piperidin-4-ol
CID 42513203
1-[3-[(benzylamino)methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 45239451
(2R)-1-(azepan-1-yl)-3-[3-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propan-2-ol
CID 29029502

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol (CID 45204618) is 1-morpholin-4-yl-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol is OC(COc1cccc(CNCCCc2ccccc2)c1)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol?
The InChIKey is RWKSCBRZFLGXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c26-22(18-25-12-14-27-15-13-25)19-28-23-10-4-8-21(16-23)17-24-11-5-9-20-6-2-1-3-7-20/h1-4,6-8,10,16,22,24,26H,5,9,11-15,17-19H2.
What are the key properties of 1-morpholin-4-yl-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol?
1-morpholin-4-yl-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol has a molecular weight of 384.52 g/mol, XLogP of 2.48, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 45204618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).