2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine

C13H20N4O — CID 89193384

IUPAC2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine
SMILESC/N=C(\N)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C13H20N4O/c1-15-13(14)16-12-4-2-11(3-5-12)10-17-6-8-18-9-7-17/h2-5H,6-10H2,1H3,(H3,14,15,16)
InChIKeyBUIMARXFUXDSRK-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.88
Rot. Bonds3

About 2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine

2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine (PubChem CID 89193384) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine
PubChem CID89193384
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine
SMILESC/N=C(\N)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C13H20N4O/c1-15-13(14)16-12-4-2-11(3-5-12)10-17-6-8-18-9-7-17/h2-5H,6-10H2,1H3,(H3,14,15,16)
InChIKeyBUIMARXFUXDSRK-UHFFFAOYSA-N
XLogP0.88
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine 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

2-methyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 110913818
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
1-(3,4-dimethoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111033522
2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111033518
(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119832107
1-(3-chloro-4-methoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111033549
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111033531
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 107569254
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
2-[4-(morpholin-4-ylmethyl)phenyl]guanidine
CID 68861466
4-(morpholin-4-ylmethyl)-N-propan-2-ylaniline
CID 28716282

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine?
The IUPAC name of 2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine (CID 89193384) is 2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine.
What is the SMILES notation for 2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine?
The canonical SMILES for 2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine is C/N=C(\N)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine?
The InChIKey is BUIMARXFUXDSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-15-13(14)16-12-4-2-11(3-5-12)10-17-6-8-18-9-7-17/h2-5H,6-10H2,1H3,(H3,14,15,16).
What are the key properties of 2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine?
2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine has a molecular weight of 248.33 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine is sourced from PubChem (CID 89193384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).