phenyl N'-(2-methylphenyl)carbamimidate

C14H14N2O — CID 142151989

IUPACphenyl N'-(2-methylphenyl)carbamimidate
SMILESCc1ccccc1/N=C(\N)Oc1ccccc1
InChIInChI=1S/C14H14N2O/c1-11-7-5-6-10-13(11)16-14(15)17-12-8-3-2-4-9-12/h2-10H,1H3,(H2,15,16)
InChIKeyYUVAPJYZHQYHMR-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.02
Rot. Bonds2

About phenyl N'-(2-methylphenyl)carbamimidate

phenyl N'-(2-methylphenyl)carbamimidate (PubChem CID 142151989) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is phenyl N'-(2-methylphenyl)carbamimidate.

Molecular Properties

Compound Namephenyl N'-(2-methylphenyl)carbamimidate
PubChem CID142151989
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Namephenyl N'-(2-methylphenyl)carbamimidate
SMILESCc1ccccc1/N=C(\N)Oc1ccccc1
InChIInChI=1S/C14H14N2O/c1-11-7-5-6-10-13(11)16-14(15)17-12-8-3-2-4-9-12/h2-10H,1H3,(H2,15,16)
InChIKeyYUVAPJYZHQYHMR-UHFFFAOYSA-N
XLogP3.02
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

phenyl 2-methyl-N-(2-methylphenyl)-3-phenoxyprop-2-enimidate
CID 67544812
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
CID 7155
N'-(2-methylphenyl)naphthalene-2-carboximidamide
CID 90076773
2-amino-N'-(2-methylphenyl)benzenecarboximidamide
CID 15836404
1-(diaminomethylidene)-2-(3-methyl-2-phenoxyphenyl)guanidine
CID 168604045
N'-(2-methylphenyl)propanimidamide;dihydrochloride
CID 175785501
N'-(2-methylphenyl)cyclopropanecarboximidamide
CID 63178826
[(Z)-[amino(phenoxy)methylidene]amino] methanesulfonate
CID 23631755
acetic acid;1,2-bis(2-methylphenyl)guanidine
CID 160854655
N-[5-[3,5-bis[3-[[hydroxy(phenoxy)methylidene]amino]-4-methylphenyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-methylphenyl]-1-phenoxymethanimidic acid
CID 136918647
N-(aminomethylidene)-N'-(2-methylphenyl)benzenecarboximidamide
CID 123171228
ethane;N-(2-methylphenyl)butan-2-imine
CID 142132579

Frequently Asked Questions

What is the IUPAC name of phenyl N'-(2-methylphenyl)carbamimidate?
The IUPAC name of phenyl N'-(2-methylphenyl)carbamimidate (CID 142151989) is phenyl N'-(2-methylphenyl)carbamimidate.
What is the SMILES notation for phenyl N'-(2-methylphenyl)carbamimidate?
The canonical SMILES for phenyl N'-(2-methylphenyl)carbamimidate is Cc1ccccc1/N=C(\N)Oc1ccccc1.
What is the InChIKey of phenyl N'-(2-methylphenyl)carbamimidate?
The InChIKey is YUVAPJYZHQYHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11-7-5-6-10-13(11)16-14(15)17-12-8-3-2-4-9-12/h2-10H,1H3,(H2,15,16).
What are the key properties of phenyl N'-(2-methylphenyl)carbamimidate?
phenyl N'-(2-methylphenyl)carbamimidate has a molecular weight of 226.28 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N'-(2-methylphenyl)carbamimidate is sourced from PubChem (CID 142151989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).