3-methoxy-N'-phenylbenzenecarboximidamide

C14H14N2O — CID 70654752

IUPAC3-methoxy-N'-phenylbenzenecarboximidamide
SMILESCOc1cccc(/C(N)=N/c2ccccc2)c1
InChIInChI=1S/C14H14N2O/c1-17-13-9-5-6-11(10-13)14(15)16-12-7-3-2-4-8-12/h2-10H,1H3,(H2,15,16)
InChIKeyJMEFSPSKMHJBBP-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.73
Rot. Bonds3

About 3-methoxy-N'-phenylbenzenecarboximidamide

3-methoxy-N'-phenylbenzenecarboximidamide (PubChem CID 70654752) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-methoxy-N'-phenylbenzenecarboximidamide.

Molecular Properties

Compound Name3-methoxy-N'-phenylbenzenecarboximidamide
PubChem CID70654752
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name3-methoxy-N'-phenylbenzenecarboximidamide
SMILESCOc1cccc(/C(N)=N/c2ccccc2)c1
InChIInChI=1S/C14H14N2O/c1-17-13-9-5-6-11(10-13)14(15)16-12-7-3-2-4-8-12/h2-10H,1H3,(H2,15,16)
InChIKeyJMEFSPSKMHJBBP-UHFFFAOYSA-N
XLogP2.73
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.73
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

N-amino-3-methoxy-N'-phenylbenzenecarboximidamide
CID 61363522
N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide
CID 132564984
bis(N'-ethyl-3-methoxybenzenecarboximidamide);dihydrochloride
CID 175111806
N'-(2-bromo-4-methoxyphenyl)benzenecarboximidamide
CID 154719104
N'-(3,4-dimethoxyphenyl)benzenecarboximidamide
CID 24834403
N'-[4-bromo-2,6-di(propan-2-yl)phenyl]-3-methoxybenzenecarboximidamide
CID 121409859
1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride
CID 131872163
1-methoxy-3-(1-phenylethenyl)benzene
CID 15680509
2-(3-methoxyphenyl)-2-oxoacetamide
CID 116924501
2-(3-methoxyphenyl)guanidine;nitrous acid
CID 86595100
2-amino-4,5-dimethoxy-N'-phenylbenzenecarboximidamide
CID 86278868
1-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]ethanimine
CID 791623

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-phenylbenzenecarboximidamide?
The IUPAC name of 3-methoxy-N'-phenylbenzenecarboximidamide (CID 70654752) is 3-methoxy-N'-phenylbenzenecarboximidamide.
What is the SMILES notation for 3-methoxy-N'-phenylbenzenecarboximidamide?
The canonical SMILES for 3-methoxy-N'-phenylbenzenecarboximidamide is COc1cccc(/C(N)=N/c2ccccc2)c1.
What is the InChIKey of 3-methoxy-N'-phenylbenzenecarboximidamide?
The InChIKey is JMEFSPSKMHJBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-17-13-9-5-6-11(10-13)14(15)16-12-7-3-2-4-8-12/h2-10H,1H3,(H2,15,16).
What are the key properties of 3-methoxy-N'-phenylbenzenecarboximidamide?
3-methoxy-N'-phenylbenzenecarboximidamide has a molecular weight of 226.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-phenylbenzenecarboximidamide is sourced from PubChem (CID 70654752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).