1-morpholin-4-yl-3-(N-phenylanilino)propan-2-ol;hydrochloride

C19H25ClN2O2 — CID 2836178

IUPAC1-morpholin-4-yl-3-(N-phenylanilino)propan-2-ol;hydrochloride
SMILESCl.OC(CN1CCOCC1)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O2.ClH/c22-19(15-20-11-13-23-14-12-20)16-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18;/h1-10,19,22H,11-16H2;1H
InChIKeyAYAKVCFXGRUMRK-UHFFFAOYSA-N
MW348.87 g/mol
LogP2.94
Rot. Bonds6

About 1-morpholin-4-yl-3-(N-phenylanilino)propan-2-ol;hydrochloride

1-morpholin-4-yl-3-(N-phenylanilino)propan-2-ol;hydrochloride (PubChem CID 2836178) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(N-phenylanilino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(N-phenylanilino)propan-2-ol;hydrochloride
PubChem CID2836178
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name1-morpholin-4-yl-3-(N-phenylanilino)propan-2-ol;hydrochloride
SMILESCl.OC(CN1CCOCC1)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O2.ClH/c22-19(15-20-11-13-23-14-12-20)16-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18;/h1-10,19,22H,11-16H2;1H
InChIKeyAYAKVCFXGRUMRK-UHFFFAOYSA-N
XLogP2.94
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(N-phenylanilino)propan-2-ol;hydrochloride?
The IUPAC name of 1-morpholin-4-yl-3-(N-phenylanilino)propan-2-ol;hydrochloride (CID 2836178) is 1-morpholin-4-yl-3-(N-phenylanilino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-morpholin-4-yl-3-(N-phenylanilino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-morpholin-4-yl-3-(N-phenylanilino)propan-2-ol;hydrochloride is Cl.OC(CN1CCOCC1)CN(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-morpholin-4-yl-3-(N-phenylanilino)propan-2-ol;hydrochloride?
The InChIKey is AYAKVCFXGRUMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c22-19(15-20-11-13-23-14-12-20)16-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18;/h1-10,19,22H,11-16H2;1H.
What are the key properties of 1-morpholin-4-yl-3-(N-phenylanilino)propan-2-ol;hydrochloride?
1-morpholin-4-yl-3-(N-phenylanilino)propan-2-ol;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(N-phenylanilino)propan-2-ol;hydrochloride is sourced from PubChem (CID 2836178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).