N'-[4-bromo-2,6-di(propan-2-yl)phenyl]-3-methoxybenzenecarboximidamide

C20H25BrN2O — CID 121409859

IUPACN'-[4-bromo-2,6-di(propan-2-yl)phenyl]-3-methoxybenzenecarboximidamide
SMILESCOc1cccc(/C(N)=N/c2c(C(C)C)cc(Br)cc2C(C)C)c1
InChIInChI=1S/C20H25BrN2O/c1-12(2)17-10-15(21)11-18(13(3)4)19(17)23-20(22)14-7-6-8-16(9-14)24-5/h6-13H,1-5H3,(H2,22,23)
InChIKeyWENIMLIKSOMIAY-UHFFFAOYSA-N
MW389.34 g/mol
LogP5.74
Rot. Bonds5

About N'-[4-bromo-2,6-di(propan-2-yl)phenyl]-3-methoxybenzenecarboximidamide

N'-[4-bromo-2,6-di(propan-2-yl)phenyl]-3-methoxybenzenecarboximidamide (PubChem CID 121409859) has the molecular formula C20H25BrN2O and a molecular weight of 389.34 g/mol. Its IUPAC name is N'-[4-bromo-2,6-di(propan-2-yl)phenyl]-3-methoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-[4-bromo-2,6-di(propan-2-yl)phenyl]-3-methoxybenzenecarboximidamide
PubChem CID121409859
Molecular FormulaC20H25BrN2O
Molecular Weight389.34 g/mol
Exact Mass388.12
IUPAC NameN'-[4-bromo-2,6-di(propan-2-yl)phenyl]-3-methoxybenzenecarboximidamide
SMILESCOc1cccc(/C(N)=N/c2c(C(C)C)cc(Br)cc2C(C)C)c1
InChIInChI=1S/C20H25BrN2O/c1-12(2)17-10-15(21)11-18(13(3)4)19(17)23-20(22)14-7-6-8-16(9-14)24-5/h6-13H,1-5H3,(H2,22,23)
InChIKeyWENIMLIKSOMIAY-UHFFFAOYSA-N
XLogP5.74
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.34
LogP ≤ 55.74
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

3-methoxy-N'-phenylbenzenecarboximidamide
CID 70654752
N'-(2-bromo-4-methoxyphenyl)benzenecarboximidamide
CID 154719104
bis(N'-ethyl-3-methoxybenzenecarboximidamide);dihydrochloride
CID 175111806
2-(3-methoxyphenyl)-2-oxoacetamide
CID 116924501
1-bromo-4-[(E)-1,2-dibromo-2-(3-methoxyphenyl)ethenyl]benzene
CID 15366242
[[amino-(3-bromophenyl)methylidene]amino] 3,5-dimethoxybenzoate
CID 4618760
1-methoxy-3-(3-methylbut-1-en-2-yl)benzene
CID 86234042
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
1-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]ethanimine
CID 791623
(Z)-2-(3-methoxyphenyl)but-2-enenitrile
CID 10035075
3-bromo-N'-propan-2-ylbenzenecarboximidamide
CID 62049372
1-(3-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
CID 58238566

Frequently Asked Questions

What is the IUPAC name of N'-[4-bromo-2,6-di(propan-2-yl)phenyl]-3-methoxybenzenecarboximidamide?
The IUPAC name of N'-[4-bromo-2,6-di(propan-2-yl)phenyl]-3-methoxybenzenecarboximidamide (CID 121409859) is N'-[4-bromo-2,6-di(propan-2-yl)phenyl]-3-methoxybenzenecarboximidamide.
What is the SMILES notation for N'-[4-bromo-2,6-di(propan-2-yl)phenyl]-3-methoxybenzenecarboximidamide?
The canonical SMILES for N'-[4-bromo-2,6-di(propan-2-yl)phenyl]-3-methoxybenzenecarboximidamide is COc1cccc(/C(N)=N/c2c(C(C)C)cc(Br)cc2C(C)C)c1.
What is the InChIKey of N'-[4-bromo-2,6-di(propan-2-yl)phenyl]-3-methoxybenzenecarboximidamide?
The InChIKey is WENIMLIKSOMIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O/c1-12(2)17-10-15(21)11-18(13(3)4)19(17)23-20(22)14-7-6-8-16(9-14)24-5/h6-13H,1-5H3,(H2,22,23).
What are the key properties of N'-[4-bromo-2,6-di(propan-2-yl)phenyl]-3-methoxybenzenecarboximidamide?
N'-[4-bromo-2,6-di(propan-2-yl)phenyl]-3-methoxybenzenecarboximidamide has a molecular weight of 389.34 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-bromo-2,6-di(propan-2-yl)phenyl]-3-methoxybenzenecarboximidamide is sourced from PubChem (CID 121409859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).