[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methanol

C13H19NO2 — CID 62121725

IUPAC[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methanol
SMILESCc1cc(CO)ccc1N1CCOCC1C
InChIInChI=1S/C13H19NO2/c1-10-7-12(8-15)3-4-13(10)14-5-6-16-9-11(14)2/h3-4,7,11,15H,5-6,8-9H2,1-2H3
InChIKeyWMPJMKSKXJUWHR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.71
Rot. Bonds2

About [3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methanol

[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methanol (PubChem CID 62121725) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methanol
PubChem CID62121725
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methanol
SMILESCc1cc(CO)ccc1N1CCOCC1C
InChIInChI=1S/C13H19NO2/c1-10-7-12(8-15)3-4-13(10)14-5-6-16-9-11(14)2/h3-4,7,11,15H,5-6,8-9H2,1-2H3
InChIKeyWMPJMKSKXJUWHR-UHFFFAOYSA-N
XLogP1.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 62120673
3-methyl-4-[(3S)-3-methylmorpholin-4-yl]aniline
CID 93111224
[4-(3-methylmorpholin-4-yl)phenyl]methanol
CID 43542363
1-[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]-N-methylmethanamine
CID 43542423
[4-[(3-methylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008118
N-[[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 43542420
1-[4-(3-ethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine
CID 63785664
4-[4-(bromomethyl)-2-nitrophenyl]-3-methylmorpholine
CID 107080268
[3-chloro-4-(2,5-dimethylmorpholin-4-yl)phenyl]methanol
CID 81152543
N-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide
CID 83102955
4-[2-methyl-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83098536
1-[5-bromo-2-(3-methylmorpholin-4-yl)phenyl]ethanone
CID 82967588

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methanol?
The IUPAC name of [3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methanol (CID 62121725) is [3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methanol.
What is the SMILES notation for [3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methanol?
The canonical SMILES for [3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methanol is Cc1cc(CO)ccc1N1CCOCC1C.
What is the InChIKey of [3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methanol?
The InChIKey is WMPJMKSKXJUWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-7-12(8-15)3-4-13(10)14-5-6-16-9-11(14)2/h3-4,7,11,15H,5-6,8-9H2,1-2H3.
What are the key properties of [3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methanol?
[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methanol has a molecular weight of 221.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methanol is sourced from PubChem (CID 62121725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).