4-(5-ethyl-2-methylphenyl)butan-2-imine

C13H19N — CID 137467922

IUPAC4-(5-ethyl-2-methylphenyl)butan-2-imine
SMILES[H]/N=C(\C)CCc1cc(CC)ccc1C
InChIInChI=1S/C13H19N/c1-4-12-7-5-10(2)13(9-12)8-6-11(3)14/h5,7,9,14H,4,6,8H2,1-3H3/b14-11+
InChIKeyNMJDMTDZYBAOBQ-SDNWHVSQSA-N
MW189.30 g/mol
LogP3.53
Rot. Bonds4

About 4-(5-ethyl-2-methylphenyl)butan-2-imine

4-(5-ethyl-2-methylphenyl)butan-2-imine (PubChem CID 137467922) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-(5-ethyl-2-methylphenyl)butan-2-imine.

Molecular Properties

Compound Name4-(5-ethyl-2-methylphenyl)butan-2-imine
PubChem CID137467922
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4-(5-ethyl-2-methylphenyl)butan-2-imine
SMILES[H]/N=C(\C)CCc1cc(CC)ccc1C
InChIInChI=1S/C13H19N/c1-4-12-7-5-10(2)13(9-12)8-6-11(3)14/h5,7,9,14H,4,6,8H2,1-3H3/b14-11+
InChIKeyNMJDMTDZYBAOBQ-SDNWHVSQSA-N
XLogP3.53
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromopropyl)-4-ethyl-1-methylbenzene
CID 118842202
4-ethyl-2-hexyl-1-methylbenzene
CID 54443410
2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene
CID 123325932
4-[4-(trifluoromethyl)phenyl]butan-2-imine
CID 91378279
[3-(3-iminobutyl)phenyl]methanamine
CID 157053847
N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine
CID 139471599
5-[4-(4-pentylphenyl)phenyl]pentan-2-imine
CID 170077032
2-butyl-4-[4-(3-butyl-4-methylphenyl)butyl]-1-methylbenzene
CID 123599336
butan-2-one;2-ethyl-4-(fluoromethyl)-1-methylbenzene
CID 143248151
N-[1-[4-(3-iminobutyl)phenyl]propyl]-4-methylaniline
CID 143376904
(5-ethyl-2-methylphenyl)methyl-(hydroxy-oxido-oxo-λ6-sulfanylidene)sulfanium
CID 172731836
4-ethyl-2-methyl-1-(8-methylnon-8-enyl)benzene
CID 174085022

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-methylphenyl)butan-2-imine?
The IUPAC name of 4-(5-ethyl-2-methylphenyl)butan-2-imine (CID 137467922) is 4-(5-ethyl-2-methylphenyl)butan-2-imine.
What is the SMILES notation for 4-(5-ethyl-2-methylphenyl)butan-2-imine?
The canonical SMILES for 4-(5-ethyl-2-methylphenyl)butan-2-imine is [H]/N=C(\C)CCc1cc(CC)ccc1C.
What is the InChIKey of 4-(5-ethyl-2-methylphenyl)butan-2-imine?
The InChIKey is NMJDMTDZYBAOBQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H19N/c1-4-12-7-5-10(2)13(9-12)8-6-11(3)14/h5,7,9,14H,4,6,8H2,1-3H3/b14-11+.
What are the key properties of 4-(5-ethyl-2-methylphenyl)butan-2-imine?
4-(5-ethyl-2-methylphenyl)butan-2-imine has a molecular weight of 189.30 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-methylphenyl)butan-2-imine is sourced from PubChem (CID 137467922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).