N-[(3,4-dimethylphenyl)methyl]-2,6-diethylaniline

C19H25N — CID 63490881

IUPACN-[(3,4-dimethylphenyl)methyl]-2,6-diethylaniline
SMILESCCc1cccc(CC)c1NCc1ccc(C)c(C)c1
InChIInChI=1S/C19H25N/c1-5-17-8-7-9-18(6-2)19(17)20-13-16-11-10-14(3)15(4)12-16/h7-12,20H,5-6,13H2,1-4H3
InChIKeyQTBQYZFDPQWOAR-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.04
Rot. Bonds5

About N-[(3,4-dimethylphenyl)methyl]-2,6-diethylaniline

N-[(3,4-dimethylphenyl)methyl]-2,6-diethylaniline (PubChem CID 63490881) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-2,6-diethylaniline.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-2,6-diethylaniline
PubChem CID63490881
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-2,6-diethylaniline
SMILESCCc1cccc(CC)c1NCc1ccc(C)c(C)c1
InChIInChI=1S/C19H25N/c1-5-17-8-7-9-18(6-2)19(17)20-13-16-11-10-14(3)15(4)12-16/h7-12,20H,5-6,13H2,1-4H3
InChIKeyQTBQYZFDPQWOAR-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-diethyl-N-[(4-methylphenyl)methyl]aniline
CID 63492108
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]-6-methylaniline
CID 63646546
N-[(3,4-difluorophenyl)methyl]-2,6-diethylaniline
CID 82918896
N-[(3-chlorophenyl)methyl]-2,6-diethylaniline
CID 4712071
N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 54798399
2,6-diethyl-N-[(3-nitrophenyl)methyl]aniline
CID 62327157
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55244992
2,4,6-trichloro-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43773692
3-[(3,4-dimethylphenyl)methylamino]-2-methylbenzenesulfonamide
CID 60933450
4-[(2,6-diethylanilino)methyl]-5-methylfuran-2-carboxylic acid
CID 103248273
2-ethyl-N-(furan-3-ylmethyl)-6-methylaniline
CID 63204552
2-ethyl-6-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66409186

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2,6-diethylaniline?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2,6-diethylaniline (CID 63490881) is N-[(3,4-dimethylphenyl)methyl]-2,6-diethylaniline.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-2,6-diethylaniline?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-2,6-diethylaniline is CCc1cccc(CC)c1NCc1ccc(C)c(C)c1.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-2,6-diethylaniline?
The InChIKey is QTBQYZFDPQWOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-5-17-8-7-9-18(6-2)19(17)20-13-16-11-10-14(3)15(4)12-16/h7-12,20H,5-6,13H2,1-4H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-2,6-diethylaniline?
N-[(3,4-dimethylphenyl)methyl]-2,6-diethylaniline has a molecular weight of 267.42 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-2,6-diethylaniline is sourced from PubChem (CID 63490881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).