1,1-bis[(2-methylphenyl)methyl]guanidine

C17H21N3 — CID 18981492

IUPAC1,1-bis[(2-methylphenyl)methyl]guanidine
SMILES[H]/N=C(\N)N(Cc1ccccc1C)Cc1ccccc1C
InChIInChI=1S/C17H21N3/c1-13-7-3-5-9-15(13)11-20(17(18)19)12-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H3,18,19)
InChIKeyKTQAMYBXSGDSIJ-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.20
Rot. Bonds4

About 1,1-bis[(2-methylphenyl)methyl]guanidine

1,1-bis[(2-methylphenyl)methyl]guanidine (PubChem CID 18981492) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1,1-bis[(2-methylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1,1-bis[(2-methylphenyl)methyl]guanidine
PubChem CID18981492
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1,1-bis[(2-methylphenyl)methyl]guanidine
SMILES[H]/N=C(\N)N(Cc1ccccc1C)Cc1ccccc1C
InChIInChI=1S/C17H21N3/c1-13-7-3-5-9-15(13)11-20(17(18)19)12-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H3,18,19)
InChIKeyKTQAMYBXSGDSIJ-UHFFFAOYSA-N
XLogP3.20
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

1,1-dibenzylguanidine
CID 9487
3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide
CID 62778596
N,N-dimethyl-2-(2-methylphenyl)ethanimidamide
CID 63179558
4-[(2-methylphenyl)methyl]benzenecarboximidamide
CID 54485744
N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 86028064
ethane;2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 142212202
2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 115120751
1-(2-methylphenyl)-N,N-bis(trimethylsilyl)methanamine
CID 13493569
N-tert-butyl-N-[(2-methylphenyl)methyl]hydroxylamine
CID 90735302
2-[2-hydroxyethyl-[(2-methylphenyl)methyl]amino]ethanol
CID 44719349
1-ethyl-1-[[2-methyl-6-(trifluoromethylsulfanyl)phenyl]methyl]guanidine
CID 121451304
4-[(2-methylphenyl)methylsulfanyl]benzenecarboximidamide
CID 55113355

Frequently Asked Questions

What is the IUPAC name of 1,1-bis[(2-methylphenyl)methyl]guanidine?
The IUPAC name of 1,1-bis[(2-methylphenyl)methyl]guanidine (CID 18981492) is 1,1-bis[(2-methylphenyl)methyl]guanidine.
What is the SMILES notation for 1,1-bis[(2-methylphenyl)methyl]guanidine?
The canonical SMILES for 1,1-bis[(2-methylphenyl)methyl]guanidine is [H]/N=C(\N)N(Cc1ccccc1C)Cc1ccccc1C.
What is the InChIKey of 1,1-bis[(2-methylphenyl)methyl]guanidine?
The InChIKey is KTQAMYBXSGDSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-13-7-3-5-9-15(13)11-20(17(18)19)12-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H3,18,19).
What are the key properties of 1,1-bis[(2-methylphenyl)methyl]guanidine?
1,1-bis[(2-methylphenyl)methyl]guanidine has a molecular weight of 267.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[(2-methylphenyl)methyl]guanidine is sourced from PubChem (CID 18981492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).