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

C14H22N4O — CID 110913818

IUPAC2-methyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
SMILESC/N=C(\N)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C14H22N4O/c1-16-14(15)17-10-12-2-4-13(5-3-12)11-18-6-8-19-9-7-18/h2-5H,6-11H2,1H3,(H3,15,16,17)
InChIKeyBZQRQNQOVDMICO-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.55
Rot. Bonds4

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

2-methyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine (PubChem CID 110913818) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-methyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
PubChem CID110913818
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-methyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
SMILESC/N=C(\N)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C14H22N4O/c1-16-14(15)17-10-12-2-4-13(5-3-12)11-18-6-8-19-9-7-18/h2-5H,6-11H2,1H3,(H3,15,16,17)
InChIKeyBZQRQNQOVDMICO-UHFFFAOYSA-N
XLogP0.55
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.55
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'}

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Related Compounds

2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine
CID 89193384
2-methyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111411698
1-[(4-fluorophenyl)methyl]-2-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111232589
2-methyl-1-(2-methylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111178482
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111202091
ethyl 4-[N'-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111162964
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560
1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111597788
2-methyl-1-(2-morpholin-4-ylethyl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111036407
2-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111893773
1-(2-ethoxyethyl)-2-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111896616
1-(1-methoxypropan-2-yl)-2-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111236701

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The IUPAC name of 2-methyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine (CID 110913818) is 2-methyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The canonical SMILES for 2-methyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine is C/N=C(\N)NCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-methyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The InChIKey is BZQRQNQOVDMICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-16-14(15)17-10-12-2-4-13(5-3-12)11-18-6-8-19-9-7-18/h2-5H,6-11H2,1H3,(H3,15,16,17).
What are the key properties of 2-methyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
2-methyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine has a molecular weight of 262.36 g/mol, XLogP of 0.55, 4 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]methyl]guanidine is sourced from PubChem (CID 110913818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).