[4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol

C12H18N2O2 — CID 81205635

IUPAC[4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol
SMILESCc1cc(N)ccc1N1CCOC(CO)C1
InChIInChI=1S/C12H18N2O2/c1-9-6-10(13)2-3-12(9)14-4-5-16-11(7-14)8-15/h2-3,6,11,15H,4-5,7-8,13H2,1H3
InChIKeyFPSRUMBISJEYSG-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.77
Rot. Bonds2

About [4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol

[4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol (PubChem CID 81205635) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol
PubChem CID81205635
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol
SMILESCc1cc(N)ccc1N1CCOC(CO)C1
InChIInChI=1S/C12H18N2O2/c1-9-6-10(13)2-3-12(9)14-4-5-16-11(7-14)8-15/h2-3,6,11,15H,4-5,7-8,13H2,1H3
InChIKeyFPSRUMBISJEYSG-UHFFFAOYSA-N
XLogP0.77
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol
CID 81205561
[4-[4-[(tert-butylamino)methyl]-2-methylphenyl]morpholin-2-yl]methanol
CID 81194556
4-amino-N-ethyl-2-[2-(hydroxymethyl)morpholin-4-yl]benzamide
CID 81205850
[4-(4-amino-3-methylphenyl)morpholin-2-yl]methanol
CID 81206062
[4-[2-(aminomethyl)-5-methylphenyl]morpholin-2-yl]methanol
CID 81206370
[4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol
CID 81206220
3-methyl-4-morpholin-4-ylaniline
CID 10607787
[4-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]morpholin-2-yl]methanol
CID 81204298
4-amino-3-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile
CID 104712170
5-bromo-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]benzonitrile
CID 97350200
3-amino-N-ethyl-4-[2-(hydroxymethyl)morpholin-4-yl]benzamide
CID 82999408
1-[3-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone
CID 81204973

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol?
The IUPAC name of [4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol (CID 81205635) is [4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol?
The canonical SMILES for [4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol is Cc1cc(N)ccc1N1CCOC(CO)C1.
What is the InChIKey of [4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol?
The InChIKey is FPSRUMBISJEYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-6-10(13)2-3-12(9)14-4-5-16-11(7-14)8-15/h2-3,6,11,15H,4-5,7-8,13H2,1H3.
What are the key properties of [4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol?
[4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol has a molecular weight of 222.29 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol is sourced from PubChem (CID 81205635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).