N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline

C17H21N — CID 55197489

IUPACN-[(2,3-dimethylphenyl)methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1cccc(C)c1C
InChIInChI=1S/C17H21N/c1-4-15-9-5-6-11-17(15)18-12-16-10-7-8-13(2)14(16)3/h5-11,18H,4,12H2,1-3H3
InChIKeyRYPLUMOUDIRKNK-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.48
Rot. Bonds4

About N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline

N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline (PubChem CID 55197489) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-2-ethylaniline
PubChem CID55197489
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1cccc(C)c1C
InChIInChI=1S/C17H21N/c1-4-15-9-5-6-11-17(15)18-12-16-10-7-8-13(2)14(16)3/h5-11,18H,4,12H2,1-3H3
InChIKeyRYPLUMOUDIRKNK-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3-dimethylphenyl)methyl]-2-methylaniline
CID 54944772
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline
CID 114254476
2-[(2,3-dimethylanilino)methyl]phenol
CID 3236047
1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene
CID 158943282
N-[(2,3-dimethylphenyl)methyl]-2-(trifluoromethoxy)aniline
CID 63422368
N-[(2-ethylphenyl)methyl]-3-iodo-2-methylaniline
CID 114256925
acetylene;1-ethyl-2,3-dimethylbenzene
CID 174688234
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
3-[(2-ethylphenyl)methylamino]-2,6-dimethylphenol
CID 62392114
N-(2-ethylphenyl)-2,3-dimethylbenzamide
CID 7923827
5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline
CID 55198647

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline (CID 55197489) is N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline is CCc1ccccc1NCc1cccc(C)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline?
The InChIKey is RYPLUMOUDIRKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-4-15-9-5-6-11-17(15)18-12-16-10-7-8-13(2)14(16)3/h5-11,18H,4,12H2,1-3H3.
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline?
N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline has a molecular weight of 239.36 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline is sourced from PubChem (CID 55197489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).