N-amino-3-methoxy-N'-phenylbenzenecarboximidamide

C14H15N3O — CID 61363522

IUPACN-amino-3-methoxy-N'-phenylbenzenecarboximidamide
SMILESCOc1cccc(/C(=N/c2ccccc2)NN)c1
InChIInChI=1S/C14H15N3O/c1-18-13-9-5-6-11(10-13)14(17-15)16-12-7-3-2-4-8-12/h2-10H,15H2,1H3,(H,16,17)
InChIKeyJKBRXBSCSRDZNA-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.24
Rot. Bonds3

About N-amino-3-methoxy-N'-phenylbenzenecarboximidamide

N-amino-3-methoxy-N'-phenylbenzenecarboximidamide (PubChem CID 61363522) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-amino-3-methoxy-N'-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-3-methoxy-N'-phenylbenzenecarboximidamide
PubChem CID61363522
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-amino-3-methoxy-N'-phenylbenzenecarboximidamide
SMILESCOc1cccc(/C(=N/c2ccccc2)NN)c1
InChIInChI=1S/C14H15N3O/c1-18-13-9-5-6-11(10-13)14(17-15)16-12-7-3-2-4-8-12/h2-10H,15H2,1H3,(H,16,17)
InChIKeyJKBRXBSCSRDZNA-UHFFFAOYSA-N
XLogP2.24
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-amino-3-tert-butyl-N'-(3-methoxyphenyl)benzenecarboximidamide
CID 15981652
3-methoxy-N'-phenylbenzenecarboximidamide
CID 70654752
N-amino-N'-ethyl-3-methoxybenzenecarboximidamide
CID 61362080
N-amino-4-tert-butyl-N'-phenylbenzenecarboximidamide
CID 61361963
1-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]ethanimine
CID 791623
1-methoxy-3-(1-phenylethenyl)benzene
CID 15680509
3-methoxy-N-(1-phenylethylideneamino)benzamide
CID 955694
1-(3-methoxyphenyl)ethylideneazanium
CID 135086476
3-hydroxy-1,3-bis(3-methoxyphenyl)-2-methylprop-2-en-1-one
CID 27818254
benzoyl chloride;tert-butylhydrazine;3-methoxybenzoyl chloride;hydrochloride
CID 173294596
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
[1-(3-methoxyphenyl)ethylideneamino]urea
CID 3676916

Frequently Asked Questions

What is the IUPAC name of N-amino-3-methoxy-N'-phenylbenzenecarboximidamide?
The IUPAC name of N-amino-3-methoxy-N'-phenylbenzenecarboximidamide (CID 61363522) is N-amino-3-methoxy-N'-phenylbenzenecarboximidamide.
What is the SMILES notation for N-amino-3-methoxy-N'-phenylbenzenecarboximidamide?
The canonical SMILES for N-amino-3-methoxy-N'-phenylbenzenecarboximidamide is COc1cccc(/C(=N/c2ccccc2)NN)c1.
What is the InChIKey of N-amino-3-methoxy-N'-phenylbenzenecarboximidamide?
The InChIKey is JKBRXBSCSRDZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-18-13-9-5-6-11(10-13)14(17-15)16-12-7-3-2-4-8-12/h2-10H,15H2,1H3,(H,16,17).
What are the key properties of N-amino-3-methoxy-N'-phenylbenzenecarboximidamide?
N-amino-3-methoxy-N'-phenylbenzenecarboximidamide has a molecular weight of 241.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-methoxy-N'-phenylbenzenecarboximidamide is sourced from PubChem (CID 61363522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).