(2S)-1-morpholin-4-yl-3-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-ol

C18H30N2O2 — CID 8006726

IUPAC(2S)-1-morpholin-4-yl-3-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-ol
SMILESCC(C)c1ccc(CCNC[C@H](O)CN2CCOCC2)cc1
InChIInChI=1S/C18H30N2O2/c1-15(2)17-5-3-16(4-6-17)7-8-19-13-18(21)14-20-9-11-22-12-10-20/h3-6,15,18-19,21H,7-14H2,1-2H3/t18-/m0/s1
InChIKeyIXVMTCIAKXMVRW-SFHVURJKSA-N
MW306.45 g/mol
LogP1.64
Rot. Bonds8

About (2S)-1-morpholin-4-yl-3-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-ol

(2S)-1-morpholin-4-yl-3-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-ol (PubChem CID 8006726) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (2S)-1-morpholin-4-yl-3-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-morpholin-4-yl-3-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-ol
PubChem CID8006726
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name(2S)-1-morpholin-4-yl-3-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-ol
SMILESCC(C)c1ccc(CCNC[C@H](O)CN2CCOCC2)cc1
InChIInChI=1S/C18H30N2O2/c1-15(2)17-5-3-16(4-6-17)7-8-19-13-18(21)14-20-9-11-22-12-10-20/h3-6,15,18-19,21H,7-14H2,1-2H3/t18-/m0/s1
InChIKeyIXVMTCIAKXMVRW-SFHVURJKSA-N
XLogP1.64
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-fluorophenyl)ethylamino]-3-morpholin-4-ylpropan-2-ol
CID 60910058
1-[2-(4-chlorophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729575
1-(3-methylbutylamino)-3-morpholin-4-ylpropan-2-ol
CID 60665903
4-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]phenol
CID 115572172
2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride
CID 2995241
1-(2-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 23153227
4-[3-(4-propan-2-ylphenyl)propyl]morpholine
CID 146185786
1-[2-[di(propan-2-yl)amino]ethylamino]-3-morpholin-4-ylpropan-2-ol
CID 60665958
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-phenylethylamino)propan-2-ol
CID 167011971
1-morpholin-4-yl-3-(4-propan-2-yloxybutylamino)propan-2-ol
CID 106010171
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766797
1-[(6-methoxy-3-pyridinyl)methylamino]-3-morpholin-4-ylpropan-2-ol
CID 62991338

Frequently Asked Questions

What is the IUPAC name of (2S)-1-morpholin-4-yl-3-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-ol?
The IUPAC name of (2S)-1-morpholin-4-yl-3-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-ol (CID 8006726) is (2S)-1-morpholin-4-yl-3-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-morpholin-4-yl-3-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-ol?
The canonical SMILES for (2S)-1-morpholin-4-yl-3-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-ol is CC(C)c1ccc(CCNC[C@H](O)CN2CCOCC2)cc1.
What is the InChIKey of (2S)-1-morpholin-4-yl-3-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-ol?
The InChIKey is IXVMTCIAKXMVRW-SFHVURJKSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-15(2)17-5-3-16(4-6-17)7-8-19-13-18(21)14-20-9-11-22-12-10-20/h3-6,15,18-19,21H,7-14H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-1-morpholin-4-yl-3-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-ol?
(2S)-1-morpholin-4-yl-3-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-ol has a molecular weight of 306.45 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-yl-3-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 8006726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).