N-ethyl-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-imine

C21H27N — CID 123650525

IUPACN-ethyl-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-imine
SMILESCC/N=C(\CCc1ccc(C(C)C)cc1)c1ccc(C)cc1
InChIInChI=1S/C21H27N/c1-5-22-21(20-11-6-17(4)7-12-20)15-10-18-8-13-19(14-9-18)16(2)3/h6-9,11-14,16H,5,10,15H2,1-4H3/b22-21+
InChIKeyBBNCSKWXVIRZFL-QURGRASLSA-N
MW293.45 g/mol
LogP5.56
Rot. Bonds6

About N-ethyl-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-imine

N-ethyl-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-imine (PubChem CID 123650525) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is N-ethyl-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-imine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-imine
PubChem CID123650525
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC NameN-ethyl-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-imine
SMILESCC/N=C(\CCc1ccc(C(C)C)cc1)c1ccc(C)cc1
InChIInChI=1S/C21H27N/c1-5-22-21(20-11-6-17(4)7-12-20)15-10-18-8-13-19(14-9-18)16(2)3/h6-9,11-14,16H,5,10,15H2,1-4H3/b22-21+
InChIKeyBBNCSKWXVIRZFL-QURGRASLSA-N
XLogP5.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloroethyl)-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene
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CID 2671711
N-methyl-3-(4-propan-2-ylphenyl)propanamide
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butan-2-one;1-methyl-4-propan-2-ylbenzene
CID 163264285
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
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CID 91475154
1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzoic acid
CID 143857654
2-methyl-4-[3-oxo-5-(4-propan-2-ylphenyl)pentyl]benzoic acid
CID 70377931
ethane;3-(4-propan-2-ylphenyl)propanamide
CID 142410323
2-[2-(4-propan-2-ylphenyl)ethyl]guanidine;hydrochloride
CID 141469459
3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one
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1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-imine?
The IUPAC name of N-ethyl-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-imine (CID 123650525) is N-ethyl-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-imine.
What is the SMILES notation for N-ethyl-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-imine?
The canonical SMILES for N-ethyl-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-imine is CC/N=C(\CCc1ccc(C(C)C)cc1)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-imine?
The InChIKey is BBNCSKWXVIRZFL-QURGRASLSA-N. The full InChI is InChI=1S/C21H27N/c1-5-22-21(20-11-6-17(4)7-12-20)15-10-18-8-13-19(14-9-18)16(2)3/h6-9,11-14,16H,5,10,15H2,1-4H3/b22-21+.
What are the key properties of N-ethyl-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-imine?
N-ethyl-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-imine has a molecular weight of 293.45 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)propan-1-imine is sourced from PubChem (CID 123650525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).