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

C17H21N3 — CID 19974401

IUPAC1,2-bis[(2-methylphenyl)methyl]guanidine
SMILESCc1ccccc1C/N=C(\N)NCc1ccccc1C
InChIInChI=1S/C17H21N3/c1-13-7-3-5-9-15(13)11-19-17(18)20-12-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H3,18,19,20)
InChIKeyDZPXQGGBMZBZNI-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.91
Rot. Bonds4

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

1,2-bis[(2-methylphenyl)methyl]guanidine (PubChem CID 19974401) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1,2-bis[(2-methylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1,2-bis[(2-methylphenyl)methyl]guanidine
PubChem CID19974401
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1,2-bis[(2-methylphenyl)methyl]guanidine
SMILESCc1ccccc1C/N=C(\N)NCc1ccccc1C
InChIInChI=1S/C17H21N3/c1-13-7-3-5-9-15(13)11-19-17(18)20-12-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H3,18,19,20)
InChIKeyDZPXQGGBMZBZNI-UHFFFAOYSA-N
XLogP2.91
TPSA50.41 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 ≤ 52.91
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

2-[(2-methylphenyl)methyl]-1-propylguanidine;hydroiodide
CID 110912166
1-(diaminomethylideneamino)-2-[(2-methylphenyl)methyl]guanidine;hydrochloride
CID 175917491
1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine
CID 62364183
(2-methylphenyl)methylthiourea
CID 18399980
1-butan-2-yl-2-[(2-methylphenyl)methyl]guanidine
CID 110919328
2-[(2-methylphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111031430
N'-[(2-methylphenyl)methyl]benzenecarboximidamide
CID 63175435
1-(1-methoxypropan-2-yl)-2-[(2-methylphenyl)methyl]guanidine
CID 111031466
1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine
CID 111031398
4-[(2-methylphenyl)methylimino]pentan-2-one
CID 123825022
2-[(2-chlorophenyl)methyl]-1-ethylguanidine
CID 62364154
1-ethyl-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 66863219

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(2-methylphenyl)methyl]guanidine?
The IUPAC name of 1,2-bis[(2-methylphenyl)methyl]guanidine (CID 19974401) is 1,2-bis[(2-methylphenyl)methyl]guanidine.
What is the SMILES notation for 1,2-bis[(2-methylphenyl)methyl]guanidine?
The canonical SMILES for 1,2-bis[(2-methylphenyl)methyl]guanidine is Cc1ccccc1C/N=C(\N)NCc1ccccc1C.
What is the InChIKey of 1,2-bis[(2-methylphenyl)methyl]guanidine?
The InChIKey is DZPXQGGBMZBZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-13-7-3-5-9-15(13)11-19-17(18)20-12-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H3,18,19,20).
What are the key properties of 1,2-bis[(2-methylphenyl)methyl]guanidine?
1,2-bis[(2-methylphenyl)methyl]guanidine has a molecular weight of 267.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(2-methylphenyl)methyl]guanidine is sourced from PubChem (CID 19974401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).