N-amino-3-tert-butyl-N'-(3-methoxyphenyl)benzenecarboximidamide

C18H23N3O — CID 15981652

IUPACN-amino-3-tert-butyl-N'-(3-methoxyphenyl)benzenecarboximidamide
SMILESCOc1cccc(/N=C(\NN)c2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C18H23N3O/c1-18(2,3)14-8-5-7-13(11-14)17(21-19)20-15-9-6-10-16(12-15)22-4/h5-12H,19H2,1-4H3,(H,20,21)
InChIKeyFWTDWMSPJYIPNF-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.53
Rot. Bonds3

About N-amino-3-tert-butyl-N'-(3-methoxyphenyl)benzenecarboximidamide

N-amino-3-tert-butyl-N'-(3-methoxyphenyl)benzenecarboximidamide (PubChem CID 15981652) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-amino-3-tert-butyl-N'-(3-methoxyphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-amino-3-tert-butyl-N'-(3-methoxyphenyl)benzenecarboximidamide
PubChem CID15981652
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-amino-3-tert-butyl-N'-(3-methoxyphenyl)benzenecarboximidamide
SMILESCOc1cccc(/N=C(\NN)c2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C18H23N3O/c1-18(2,3)14-8-5-7-13(11-14)17(21-19)20-15-9-6-10-16(12-15)22-4/h5-12H,19H2,1-4H3,(H,20,21)
InChIKeyFWTDWMSPJYIPNF-UHFFFAOYSA-N
XLogP3.53
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.53
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-methoxy-N'-phenylbenzenecarboximidamide
CID 61363522
N-amino-N'-ethyl-3-methoxybenzenecarboximidamide
CID 61362080
N-amino-4-tert-butyl-N'-phenylbenzenecarboximidamide
CID 61361963
2-(3-methoxyphenyl)guanidine;nitrous acid
CID 86595100
3-methoxy-N'-phenylbenzenecarboximidamide
CID 70654752
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
2-amino-2-(3-methoxyphenyl)propanoic acid
CID 4018837
2-amino-2-(3-methoxyphenyl)propanamide
CID 60795453
methyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride
CID 155757771
2-(3-methoxyphenyl)guanidine;nitric acid
CID 67005874
1-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]ethanimine
CID 791623
1-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 54946064

Frequently Asked Questions

What is the IUPAC name of N-amino-3-tert-butyl-N'-(3-methoxyphenyl)benzenecarboximidamide?
The IUPAC name of N-amino-3-tert-butyl-N'-(3-methoxyphenyl)benzenecarboximidamide (CID 15981652) is N-amino-3-tert-butyl-N'-(3-methoxyphenyl)benzenecarboximidamide.
What is the SMILES notation for N-amino-3-tert-butyl-N'-(3-methoxyphenyl)benzenecarboximidamide?
The canonical SMILES for N-amino-3-tert-butyl-N'-(3-methoxyphenyl)benzenecarboximidamide is COc1cccc(/N=C(\NN)c2cccc(C(C)(C)C)c2)c1.
What is the InChIKey of N-amino-3-tert-butyl-N'-(3-methoxyphenyl)benzenecarboximidamide?
The InChIKey is FWTDWMSPJYIPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-18(2,3)14-8-5-7-13(11-14)17(21-19)20-15-9-6-10-16(12-15)22-4/h5-12H,19H2,1-4H3,(H,20,21).
What are the key properties of N-amino-3-tert-butyl-N'-(3-methoxyphenyl)benzenecarboximidamide?
N-amino-3-tert-butyl-N'-(3-methoxyphenyl)benzenecarboximidamide has a molecular weight of 297.40 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-tert-butyl-N'-(3-methoxyphenyl)benzenecarboximidamide is sourced from PubChem (CID 15981652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).