N'-[4-(4-tert-butylphenyl)-5-(fluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

C22H29FN2 — CID 68588365

IUPACN'-[4-(4-tert-butylphenyl)-5-(fluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(CF)c(-c2ccc(C(C)(C)C)cc2)cc1C
InChIInChI=1S/C22H29FN2/c1-7-25(6)15-24-21-13-18(14-23)20(12-16(21)2)17-8-10-19(11-9-17)22(3,4)5/h8-13,15H,7,14H2,1-6H3/b24-15+
InChIKeyCDXHJZCZPPNLKN-BUVRLJJBSA-N
MW340.49 g/mol
LogP6.04
Rot. Bonds5

About N'-[4-(4-tert-butylphenyl)-5-(fluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-(4-tert-butylphenyl)-5-(fluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 68588365) has the molecular formula C22H29FN2 and a molecular weight of 340.49 g/mol. Its IUPAC name is N'-[4-(4-tert-butylphenyl)-5-(fluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(4-tert-butylphenyl)-5-(fluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID68588365
Molecular FormulaC22H29FN2
Molecular Weight340.49 g/mol
Exact Mass340.23
IUPAC NameN'-[4-(4-tert-butylphenyl)-5-(fluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(CF)c(-c2ccc(C(C)(C)C)cc2)cc1C
InChIInChI=1S/C22H29FN2/c1-7-25(6)15-24-21-13-18(14-23)20(12-16(21)2)17-8-10-19(11-9-17)22(3,4)5/h8-13,15H,7,14H2,1-6H3/b24-15+
InChIKeyCDXHJZCZPPNLKN-BUVRLJJBSA-N
XLogP6.04
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.49
LogP ≤ 56.04
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-tert-butylphenyl)-5-(fluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-(4-tert-butylphenyl)-5-(fluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (CID 68588365) is N'-[4-(4-tert-butylphenyl)-5-(fluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-(4-tert-butylphenyl)-5-(fluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-(4-tert-butylphenyl)-5-(fluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(CF)c(-c2ccc(C(C)(C)C)cc2)cc1C.
What is the InChIKey of N'-[4-(4-tert-butylphenyl)-5-(fluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is CDXHJZCZPPNLKN-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H29FN2/c1-7-25(6)15-24-21-13-18(14-23)20(12-16(21)2)17-8-10-19(11-9-17)22(3,4)5/h8-13,15H,7,14H2,1-6H3/b24-15+.
What are the key properties of N'-[4-(4-tert-butylphenyl)-5-(fluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-(4-tert-butylphenyl)-5-(fluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 340.49 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-tert-butylphenyl)-5-(fluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 68588365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).