(2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol

C14H22N2O2 — CID 93082442

IUPAC(2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol
SMILESC[C@H](CO)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H22N2O2/c1-12(11-17)15-10-13-2-4-14(5-3-13)16-6-8-18-9-7-16/h2-5,12,15,17H,6-11H2,1H3/t12-/m1/s1
InChIKeyDQKZPCMLQOCHIJ-GFCCVEGCSA-N
MW250.34 g/mol
LogP0.99
Rot. Bonds5

About (2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol

(2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol (PubChem CID 93082442) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol
PubChem CID93082442
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol
SMILESC[C@H](CO)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H22N2O2/c1-12(11-17)15-10-13-2-4-14(5-3-13)16-6-8-18-9-7-16/h2-5,12,15,17H,6-11H2,1H3/t12-/m1/s1
InChIKeyDQKZPCMLQOCHIJ-GFCCVEGCSA-N
XLogP0.99
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine
CID 63988276
4-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]pentan-1-ol
CID 103700842
4-methylsulfinyl-N-[(4-morpholin-4-ylphenyl)methyl]butan-2-amine
CID 115688233
(1R)-1-(furan-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
CID 81391853
3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol
CID 111422027
3-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]butan-1-ol
CID 79254755
(4-morpholin-4-ylphenyl)methanol
CID 2776456
4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine
CID 115758040
4-[[[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]amino]methyl]benzonitrile
CID 95586172
1-butan-2-yl-2-methyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine
CID 110944242
4-[(1-hydroxypropan-2-ylamino)methyl]phenol
CID 43499774
4-[[1-(4-morpholin-4-ylphenyl)ethylamino]methyl]benzonitrile;hydrochloride
CID 48634323

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol?
The IUPAC name of (2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol (CID 93082442) is (2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol is C[C@H](CO)NCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol?
The InChIKey is DQKZPCMLQOCHIJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12(11-17)15-10-13-2-4-14(5-3-13)16-6-8-18-9-7-16/h2-5,12,15,17H,6-11H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol?
(2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 93082442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).