N'-[2,6-di(propan-2-yl)phenyl]-2-methoxybenzenecarboximidamide

C20H26N2O — CID 162491948

IUPACN'-[2,6-di(propan-2-yl)phenyl]-2-methoxybenzenecarboximidamide
SMILESCOc1ccccc1/C(N)=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C20H26N2O/c1-13(2)15-10-8-11-16(14(3)4)19(15)22-20(21)17-9-6-7-12-18(17)23-5/h6-14H,1-5H3,(H2,21,22)
InChIKeyVXRQMPBEVXYLKR-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.98
Rot. Bonds5

About N'-[2,6-di(propan-2-yl)phenyl]-2-methoxybenzenecarboximidamide

N'-[2,6-di(propan-2-yl)phenyl]-2-methoxybenzenecarboximidamide (PubChem CID 162491948) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N'-[2,6-di(propan-2-yl)phenyl]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-[2,6-di(propan-2-yl)phenyl]-2-methoxybenzenecarboximidamide
PubChem CID162491948
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN'-[2,6-di(propan-2-yl)phenyl]-2-methoxybenzenecarboximidamide
SMILESCOc1ccccc1/C(N)=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C20H26N2O/c1-13(2)15-10-8-11-16(14(3)4)19(15)22-20(21)17-9-6-7-12-18(17)23-5/h6-14H,1-5H3,(H2,21,22)
InChIKeyVXRQMPBEVXYLKR-UHFFFAOYSA-N
XLogP4.98
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.98
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

2-methoxy-N'-methylbenzenecarboximidamide
CID 63181922
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200034
N'-hydroxy-2-propan-2-ylbenzenecarboximidamide
CID 83386252
2-methoxy-N'-(4-methylsulfonylphenyl)benzenecarboximidamide
CID 10614468
1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(2-methoxy-6-methylphenyl)ethanimine
CID 102457865
(benzhydrylideneamino) N'-[2,6-di(propan-2-yl)phenyl]carbamimidate
CID 87424175
ethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate
CID 139084602
N'-[4-bromo-2,6-di(propan-2-yl)phenyl]-3-methoxybenzenecarboximidamide
CID 121409859
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
N-[2,6-di(propan-2-yl)phenyl]naphthalene-1-carboximidoyl chloride
CID 22596626

Frequently Asked Questions

What is the IUPAC name of N'-[2,6-di(propan-2-yl)phenyl]-2-methoxybenzenecarboximidamide?
The IUPAC name of N'-[2,6-di(propan-2-yl)phenyl]-2-methoxybenzenecarboximidamide (CID 162491948) is N'-[2,6-di(propan-2-yl)phenyl]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for N'-[2,6-di(propan-2-yl)phenyl]-2-methoxybenzenecarboximidamide?
The canonical SMILES for N'-[2,6-di(propan-2-yl)phenyl]-2-methoxybenzenecarboximidamide is COc1ccccc1/C(N)=N/c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N'-[2,6-di(propan-2-yl)phenyl]-2-methoxybenzenecarboximidamide?
The InChIKey is VXRQMPBEVXYLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-13(2)15-10-8-11-16(14(3)4)19(15)22-20(21)17-9-6-7-12-18(17)23-5/h6-14H,1-5H3,(H2,21,22).
What are the key properties of N'-[2,6-di(propan-2-yl)phenyl]-2-methoxybenzenecarboximidamide?
N'-[2,6-di(propan-2-yl)phenyl]-2-methoxybenzenecarboximidamide has a molecular weight of 310.44 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,6-di(propan-2-yl)phenyl]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 162491948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).