[4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol

C12H17ClN2O2 — CID 113315842

IUPAC[4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1cc(Cl)ccc1N
InChIInChI=1S/C12H17ClN2O2/c1-8-7-17-10(6-16)5-15(8)12-4-9(13)2-3-11(12)14/h2-4,8,10,16H,5-7,14H2,1H3
InChIKeyWPRJYZBPBNJMNE-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.51
Rot. Bonds2

About [4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol

[4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol (PubChem CID 113315842) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is [4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol
PubChem CID113315842
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name[4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1cc(Cl)ccc1N
InChIInChI=1S/C12H17ClN2O2/c1-8-7-17-10(6-16)5-15(8)12-4-9(13)2-3-11(12)14/h2-4,8,10,16H,5-7,14H2,1H3
InChIKeyWPRJYZBPBNJMNE-UHFFFAOYSA-N
XLogP1.51
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-amino-5-methoxyphenyl)-5-methylmorpholin-2-yl]methanol
CID 81205715
4-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzonitrile
CID 81202955
5-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide
CID 81202711
[4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol
CID 81206220
[4-(4-aminophenyl)-5-methylmorpholin-2-yl]methanol
CID 81206068
3-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzaldehyde
CID 81205219
methyl 3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzoate
CID 81219672
3-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-N-methylbenzamide
CID 82999726
2-amino-3-fluoro-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzoic acid
CID 83207204
[(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 100698230
2-chloro-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarbothioamide
CID 81202967
[4-(2-chloro-4-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 102824323

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol (CID 113315842) is [4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1c1cc(Cl)ccc1N.
What is the InChIKey of [4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol?
The InChIKey is WPRJYZBPBNJMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8-7-17-10(6-16)5-15(8)12-4-9(13)2-3-11(12)14/h2-4,8,10,16H,5-7,14H2,1H3.
What are the key properties of [4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol?
[4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol has a molecular weight of 256.73 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 113315842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).