2-hydroxy-1-methyl-1-[(4-methylphenyl)methyl]guanidine

C10H15N3O — CID 62482069

IUPAC2-hydroxy-1-methyl-1-[(4-methylphenyl)methyl]guanidine
SMILESCc1ccc(CN(C)/C(N)=N/O)cc1
InChIInChI=1S/C10H15N3O/c1-8-3-5-9(6-4-8)7-13(2)10(11)12-14/h3-6,14H,7H2,1-2H3,(H2,11,12)
InChIKeyMFLPXXCUMGHZBK-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.13
Rot. Bonds2

About 2-hydroxy-1-methyl-1-[(4-methylphenyl)methyl]guanidine

2-hydroxy-1-methyl-1-[(4-methylphenyl)methyl]guanidine (PubChem CID 62482069) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-hydroxy-1-methyl-1-[(4-methylphenyl)methyl]guanidine.

Molecular Properties

Compound Name2-hydroxy-1-methyl-1-[(4-methylphenyl)methyl]guanidine
PubChem CID62482069
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-hydroxy-1-methyl-1-[(4-methylphenyl)methyl]guanidine
SMILESCc1ccc(CN(C)/C(N)=N/O)cc1
InChIInChI=1S/C10H15N3O/c1-8-3-5-9(6-4-8)7-13(2)10(11)12-14/h3-6,14H,7H2,1-2H3,(H2,11,12)
InChIKeyMFLPXXCUMGHZBK-UHFFFAOYSA-N
XLogP1.13
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-[(4-bromophenyl)methyl]-1-methylguanidine
CID 77053986
1-methyl-1-[(4-methylphenyl)methyl]hydrazine
CID 82280119
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 2450177
3-amino-N,2,2,3-tetramethyl-N-[(4-methylphenyl)methyl]butanamide
CID 65264833
2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanethioamide
CID 43175002
[methyl-[(4-methylphenyl)methyl]amino]methanethiol
CID 115228025
N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 115261992
2-cyclopentyl-1-[(4-fluorophenyl)methyl]-1-methylguanidine
CID 62361848
4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline
CID 70930364
4-[[ethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 43263456
N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine
CID 58518810
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] carbamimidothioate
CID 36521631

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-methyl-1-[(4-methylphenyl)methyl]guanidine?
The IUPAC name of 2-hydroxy-1-methyl-1-[(4-methylphenyl)methyl]guanidine (CID 62482069) is 2-hydroxy-1-methyl-1-[(4-methylphenyl)methyl]guanidine.
What is the SMILES notation for 2-hydroxy-1-methyl-1-[(4-methylphenyl)methyl]guanidine?
The canonical SMILES for 2-hydroxy-1-methyl-1-[(4-methylphenyl)methyl]guanidine is Cc1ccc(CN(C)/C(N)=N/O)cc1.
What is the InChIKey of 2-hydroxy-1-methyl-1-[(4-methylphenyl)methyl]guanidine?
The InChIKey is MFLPXXCUMGHZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8-3-5-9(6-4-8)7-13(2)10(11)12-14/h3-6,14H,7H2,1-2H3,(H2,11,12).
What are the key properties of 2-hydroxy-1-methyl-1-[(4-methylphenyl)methyl]guanidine?
2-hydroxy-1-methyl-1-[(4-methylphenyl)methyl]guanidine has a molecular weight of 193.25 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-methyl-1-[(4-methylphenyl)methyl]guanidine is sourced from PubChem (CID 62482069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).