2,6-diethyl-N-[(4-methylphenyl)methyl]aniline

C18H23N — CID 63492108

IUPAC2,6-diethyl-N-[(4-methylphenyl)methyl]aniline
SMILESCCc1cccc(CC)c1NCc1ccc(C)cc1
InChIInChI=1S/C18H23N/c1-4-16-7-6-8-17(5-2)18(16)19-13-15-11-9-14(3)10-12-15/h6-12,19H,4-5,13H2,1-3H3
InChIKeyIOJDROBGZYWMKY-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.73
Rot. Bonds5

About 2,6-diethyl-N-[(4-methylphenyl)methyl]aniline

2,6-diethyl-N-[(4-methylphenyl)methyl]aniline (PubChem CID 63492108) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2,6-diethyl-N-[(4-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2,6-diethyl-N-[(4-methylphenyl)methyl]aniline
PubChem CID63492108
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2,6-diethyl-N-[(4-methylphenyl)methyl]aniline
SMILESCCc1cccc(CC)c1NCc1ccc(C)cc1
InChIInChI=1S/C18H23N/c1-4-16-7-6-8-17(5-2)18(16)19-13-15-11-9-14(3)10-12-15/h6-12,19H,4-5,13H2,1-3H3
InChIKeyIOJDROBGZYWMKY-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-2,6-diethylaniline
CID 63490881
N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 54798399
3,4-bis[(4-methylphenyl)methylamino]cyclobut-3-ene-1,2-dione
CID 155941627
N-[(3,4-difluorophenyl)methyl]-2,6-diethylaniline
CID 82918896
N-[(3-chlorophenyl)methyl]-2,6-diethylaniline
CID 4712071
4-[(2,6-diethylanilino)methyl]-5-methylfuran-2-carboxylic acid
CID 103248273
2-(chloromethyl)-N-[(4-methylphenyl)methyl]aniline
CID 65023637
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962022
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline
CID 63646546
2,6-diethyl-N-[(3-nitrophenyl)methyl]aniline
CID 62327157
N-(2,6-diethylphenyl)-3-(4-methylphenyl)propanamide
CID 19220419
N-(2-ethyl-6-methylphenyl)-3-[(4-methylphenyl)methylamino]propanamide
CID 109019985

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-N-[(4-methylphenyl)methyl]aniline?
The IUPAC name of 2,6-diethyl-N-[(4-methylphenyl)methyl]aniline (CID 63492108) is 2,6-diethyl-N-[(4-methylphenyl)methyl]aniline.
What is the SMILES notation for 2,6-diethyl-N-[(4-methylphenyl)methyl]aniline?
The canonical SMILES for 2,6-diethyl-N-[(4-methylphenyl)methyl]aniline is CCc1cccc(CC)c1NCc1ccc(C)cc1.
What is the InChIKey of 2,6-diethyl-N-[(4-methylphenyl)methyl]aniline?
The InChIKey is IOJDROBGZYWMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-16-7-6-8-17(5-2)18(16)19-13-15-11-9-14(3)10-12-15/h6-12,19H,4-5,13H2,1-3H3.
What are the key properties of 2,6-diethyl-N-[(4-methylphenyl)methyl]aniline?
2,6-diethyl-N-[(4-methylphenyl)methyl]aniline has a molecular weight of 253.39 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-N-[(4-methylphenyl)methyl]aniline is sourced from PubChem (CID 63492108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).