N-[1-(2,4-dimethylphenyl)ethyl]-4-ethylaniline

C18H23N — CID 43098508

IUPACN-[1-(2,4-dimethylphenyl)ethyl]-4-ethylaniline
SMILESCCc1ccc(NC(C)c2ccc(C)cc2C)cc1
InChIInChI=1S/C18H23N/c1-5-16-7-9-17(10-8-16)19-15(4)18-11-6-13(2)12-14(18)3/h6-12,15,19H,5H2,1-4H3
InChIKeyWNBCYLAUFDYKGC-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.04
Rot. Bonds4

About N-[1-(2,4-dimethylphenyl)ethyl]-4-ethylaniline

N-[1-(2,4-dimethylphenyl)ethyl]-4-ethylaniline (PubChem CID 43098508) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethyl]-4-ethylaniline.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]-4-ethylaniline
PubChem CID43098508
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]-4-ethylaniline
SMILESCCc1ccc(NC(C)c2ccc(C)cc2C)cc1
InChIInChI=1S/C18H23N/c1-5-16-7-9-17(10-8-16)19-15(4)18-11-6-13(2)12-14(18)3/h6-12,15,19H,5H2,1-4H3
InChIKeyWNBCYLAUFDYKGC-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43764329
4-ethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 43109583
4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43097496
[(2,4-dimethylphenyl)-(4-ethylanilino)methyl]phosphonic acid
CID 42948670
N-[1-(2,4-dimethylphenyl)ethyl]-2-ethylaniline
CID 43096079
4-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43099731
5-[1-(2,4-dimethylphenyl)ethylamino]-1-propylpyridin-2-one
CID 60943688
2-[4-[1-(2,5-dimethylphenyl)ethylamino]phenyl]ethanol
CID 61237493
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803668
N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43489966
N-(2,4-dimethylphenyl)-2-(4-ethylanilino)propanamide
CID 46757541
N-[1-(2,4-dimethylphenyl)ethyl]-1,3-benzodioxol-5-amine
CID 43196985

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-4-ethylaniline?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-4-ethylaniline (CID 43098508) is N-[1-(2,4-dimethylphenyl)ethyl]-4-ethylaniline.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]-4-ethylaniline?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]-4-ethylaniline is CCc1ccc(NC(C)c2ccc(C)cc2C)cc1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]-4-ethylaniline?
The InChIKey is WNBCYLAUFDYKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-5-16-7-9-17(10-8-16)19-15(4)18-11-6-13(2)12-14(18)3/h6-12,15,19H,5H2,1-4H3.
What are the key properties of N-[1-(2,4-dimethylphenyl)ethyl]-4-ethylaniline?
N-[1-(2,4-dimethylphenyl)ethyl]-4-ethylaniline has a molecular weight of 253.39 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)ethyl]-4-ethylaniline is sourced from PubChem (CID 43098508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).