N'-(2-propan-2-ylphenyl)benzenecarboximidamide

C16H18N2 — CID 55160347

IUPACN'-(2-propan-2-ylphenyl)benzenecarboximidamide
SMILESCC(C)c1ccccc1/N=C(\N)c1ccccc1
InChIInChI=1S/C16H18N2/c1-12(2)14-10-6-7-11-15(14)18-16(17)13-8-4-3-5-9-13/h3-12H,1-2H3,(H2,17,18)
InChIKeyDTBSODBKTQCVGE-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.85
Rot. Bonds3

About N'-(2-propan-2-ylphenyl)benzenecarboximidamide

N'-(2-propan-2-ylphenyl)benzenecarboximidamide (PubChem CID 55160347) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-(2-propan-2-ylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(2-propan-2-ylphenyl)benzenecarboximidamide
PubChem CID55160347
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN'-(2-propan-2-ylphenyl)benzenecarboximidamide
SMILESCC(C)c1ccccc1/N=C(\N)c1ccccc1
InChIInChI=1S/C16H18N2/c1-12(2)14-10-6-7-11-15(14)18-16(17)13-8-4-3-5-9-13/h3-12H,1-2H3,(H2,17,18)
InChIKeyDTBSODBKTQCVGE-UHFFFAOYSA-N
XLogP3.85
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-(2-propan-2-ylphenyl)propanimidamide
CID 63174482
2-N,3-N-bis(2-propan-2-ylphenyl)butane-2,3-diimine;carbanide;nickel(2+)
CID 59919412
ethyl N'-(2-propan-2-ylphenyl)carbamimidothioate
CID 10537022
N'-[1-(2-methylphenyl)ethyl]benzenecarboximidamide
CID 63177992
N'-[1-(2-fluorophenyl)ethyl]benzenecarboximidamide
CID 63176743
N'-hydroxy-2-propan-2-ylbenzenecarboximidamide
CID 83386252
N'-(2,3-difluorophenyl)benzenecarboximidamide
CID 63176604
(benzhydrylideneamino) N'-[2,6-di(propan-2-yl)phenyl]carbamimidate
CID 87424175
N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride
CID 22596623
1-methyl-1-naphthalen-1-yl-2-(2-propan-2-ylphenyl)guanidine;hydrochloride
CID 19063251
N'-(2-bromo-4-methoxyphenyl)benzenecarboximidamide
CID 154719104
N'-(3-chloro-2-fluorophenyl)benzenecarboximidamide
CID 63178462

Frequently Asked Questions

What is the IUPAC name of N'-(2-propan-2-ylphenyl)benzenecarboximidamide?
The IUPAC name of N'-(2-propan-2-ylphenyl)benzenecarboximidamide (CID 55160347) is N'-(2-propan-2-ylphenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(2-propan-2-ylphenyl)benzenecarboximidamide?
The canonical SMILES for N'-(2-propan-2-ylphenyl)benzenecarboximidamide is CC(C)c1ccccc1/N=C(\N)c1ccccc1.
What is the InChIKey of N'-(2-propan-2-ylphenyl)benzenecarboximidamide?
The InChIKey is DTBSODBKTQCVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-12(2)14-10-6-7-11-15(14)18-16(17)13-8-4-3-5-9-13/h3-12H,1-2H3,(H2,17,18).
What are the key properties of N'-(2-propan-2-ylphenyl)benzenecarboximidamide?
N'-(2-propan-2-ylphenyl)benzenecarboximidamide has a molecular weight of 238.33 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-propan-2-ylphenyl)benzenecarboximidamide is sourced from PubChem (CID 55160347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).