N'-[4-(4-tert-butylphenyl)phenyl]-2-chloroethanimidamide

C18H21ClN2 — CID 169368793

IUPACN'-[4-(4-tert-butylphenyl)phenyl]-2-chloroethanimidamide
SMILESCC(C)(C)c1ccc(-c2ccc(/N=C(/N)CCl)cc2)cc1
InChIInChI=1S/C18H21ClN2/c1-18(2,3)15-8-4-13(5-9-15)14-6-10-16(11-7-14)21-17(20)12-19/h4-11H,12H2,1-3H3,(H2,20,21)
InChIKeyTYLWIYSPRYDWEP-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.88
Rot. Bonds3

About N'-[4-(4-tert-butylphenyl)phenyl]-2-chloroethanimidamide

N'-[4-(4-tert-butylphenyl)phenyl]-2-chloroethanimidamide (PubChem CID 169368793) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is N'-[4-(4-tert-butylphenyl)phenyl]-2-chloroethanimidamide.

Molecular Properties

Compound NameN'-[4-(4-tert-butylphenyl)phenyl]-2-chloroethanimidamide
PubChem CID169368793
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC NameN'-[4-(4-tert-butylphenyl)phenyl]-2-chloroethanimidamide
SMILESCC(C)(C)c1ccc(-c2ccc(/N=C(/N)CCl)cc2)cc1
InChIInChI=1S/C18H21ClN2/c1-18(2,3)15-8-4-13(5-9-15)14-6-10-16(11-7-14)21-17(20)12-19/h4-11H,12H2,1-3H3,(H2,20,21)
InChIKeyTYLWIYSPRYDWEP-UHFFFAOYSA-N
XLogP4.88
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-chloroethanimidamide
CID 169365728
2-chloro-N'-[4-(2,2-dimethylpropoxy)phenyl]ethanimidamide
CID 169368507
4-[4-[(1-amino-2-chloroethylidene)amino]phenyl]-N,N-dimethylbenzamide
CID 169366248
4-[(1-amino-2-chloroethylidene)amino]benzamide
CID 169369705
2-[4-[(1-amino-2-chloroethylidene)amino]phenoxy]ethyl-trimethylazanium
CID 169369058
2-chloro-N'-[4-[2-(methylamino)ethyl]phenyl]ethanimidamide
CID 169369257
N'-(5-tert-butyl-2-methoxyphenyl)-2-chloroethanimidamide
CID 169369525
2-chloro-N'-(4-cyclopropylphenyl)ethanimidamide
CID 169366596
2-chloro-N'-[4-[(4-methylphenyl)methoxy]phenyl]ethanimidamide
CID 169368212
4-[3-[(1-amino-2-chloroethylidene)amino]phenyl]benzoic acid
CID 169367020
1-tert-butyl-4-(4-nitrosophenyl)benzene
CID 3025980
2-chloro-N'-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethanimidamide
CID 169367281

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-tert-butylphenyl)phenyl]-2-chloroethanimidamide?
The IUPAC name of N'-[4-(4-tert-butylphenyl)phenyl]-2-chloroethanimidamide (CID 169368793) is N'-[4-(4-tert-butylphenyl)phenyl]-2-chloroethanimidamide.
What is the SMILES notation for N'-[4-(4-tert-butylphenyl)phenyl]-2-chloroethanimidamide?
The canonical SMILES for N'-[4-(4-tert-butylphenyl)phenyl]-2-chloroethanimidamide is CC(C)(C)c1ccc(-c2ccc(/N=C(/N)CCl)cc2)cc1.
What is the InChIKey of N'-[4-(4-tert-butylphenyl)phenyl]-2-chloroethanimidamide?
The InChIKey is TYLWIYSPRYDWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-18(2,3)15-8-4-13(5-9-15)14-6-10-16(11-7-14)21-17(20)12-19/h4-11H,12H2,1-3H3,(H2,20,21).
What are the key properties of N'-[4-(4-tert-butylphenyl)phenyl]-2-chloroethanimidamide?
N'-[4-(4-tert-butylphenyl)phenyl]-2-chloroethanimidamide has a molecular weight of 300.83 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-tert-butylphenyl)phenyl]-2-chloroethanimidamide is sourced from PubChem (CID 169368793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).