N-benzyl-2,6-dimethoxy-4-methylaniline

C16H19NO2 — CID 140970852

IUPACN-benzyl-2,6-dimethoxy-4-methylaniline
SMILESCOc1cc(C)cc(OC)c1NCc1ccccc1
InChIInChI=1S/C16H19NO2/c1-12-9-14(18-2)16(15(10-12)19-3)17-11-13-7-5-4-6-8-13/h4-10,17H,11H2,1-3H3
InChIKeyGHTUNXLPDXKHKJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.62
Rot. Bonds5

About N-benzyl-2,6-dimethoxy-4-methylaniline

N-benzyl-2,6-dimethoxy-4-methylaniline (PubChem CID 140970852) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-benzyl-2,6-dimethoxy-4-methylaniline.

Molecular Properties

Compound NameN-benzyl-2,6-dimethoxy-4-methylaniline
PubChem CID140970852
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-benzyl-2,6-dimethoxy-4-methylaniline
SMILESCOc1cc(C)cc(OC)c1NCc1ccccc1
InChIInChI=1S/C16H19NO2/c1-12-9-14(18-2)16(15(10-12)19-3)17-11-13-7-5-4-6-8-13/h4-10,17H,11H2,1-3H3
InChIKeyGHTUNXLPDXKHKJ-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-methoxy-4-methylaniline
CID 54865649
N-benzyl-4,5-dimethoxy-2-methylaniline
CID 43230212
2,6-dibromo-N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylaniline
CID 65022685
N-benzyl-2-methoxy-4-methylbenzenesulfonamide
CID 801458
2,6-dibromo-N-[(3,4-dimethoxyphenyl)methyl]-4-methylaniline
CID 28984269
2-methoxy-5-[(2,4,6-trimethylanilino)methyl]phenol
CID 39370195
N-benzyl-5-methoxy-2-methylpyridin-4-amine
CID 106660226
2,6-dibromo-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylaniline
CID 43773583
2-N-benzyl-4,5-dimethoxybenzene-1,2-diamine
CID 13230181
N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43177527
N-benzyl-2-(2-methoxyethoxy)-4-methylaniline
CID 60935556
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,6-dimethoxy-4-methylaniline?
The IUPAC name of N-benzyl-2,6-dimethoxy-4-methylaniline (CID 140970852) is N-benzyl-2,6-dimethoxy-4-methylaniline.
What is the SMILES notation for N-benzyl-2,6-dimethoxy-4-methylaniline?
The canonical SMILES for N-benzyl-2,6-dimethoxy-4-methylaniline is COc1cc(C)cc(OC)c1NCc1ccccc1.
What is the InChIKey of N-benzyl-2,6-dimethoxy-4-methylaniline?
The InChIKey is GHTUNXLPDXKHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-9-14(18-2)16(15(10-12)19-3)17-11-13-7-5-4-6-8-13/h4-10,17H,11H2,1-3H3.
What are the key properties of N-benzyl-2,6-dimethoxy-4-methylaniline?
N-benzyl-2,6-dimethoxy-4-methylaniline has a molecular weight of 257.33 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,6-dimethoxy-4-methylaniline is sourced from PubChem (CID 140970852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).