2-benzyl-5-methoxyaniline;ethane

C16H21NO — CID 142463807

IUPAC2-benzyl-5-methoxyaniline;ethane
SMILESCC.COc1ccc(Cc2ccccc2)c(N)c1
InChIInChI=1S/C14H15NO.C2H6/c1-16-13-8-7-12(14(15)10-13)9-11-5-3-2-4-6-11;1-2/h2-8,10H,9,15H2,1H3;1-2H3
InChIKeyWIWGBOODGRAOKR-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.89
Rot. Bonds3

About 2-benzyl-5-methoxyaniline;ethane

2-benzyl-5-methoxyaniline;ethane (PubChem CID 142463807) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-benzyl-5-methoxyaniline;ethane.

Molecular Properties

Compound Name2-benzyl-5-methoxyaniline;ethane
PubChem CID142463807
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-benzyl-5-methoxyaniline;ethane
SMILESCC.COc1ccc(Cc2ccccc2)c(N)c1
InChIInChI=1S/C14H15NO.C2H6/c1-16-13-8-7-12(14(15)10-13)9-11-5-3-2-4-6-11;1-2/h2-8,10H,9,15H2,1H3;1-2H3
InChIKeyWIWGBOODGRAOKR-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(2-amino-4-methoxyphenyl)methyl]phenol
CID 105486633
(3-amino-4-benzylphenyl) formate
CID 158130008
5-fluoro-2-[(4-methoxyphenyl)methyl]aniline
CID 18794484
CID 175226407
CID 175226407
1,2-dibenzyl-7-methoxynaphthalene
CID 174540478
2-(2-amino-4-methoxyphenyl)-1-phenylethanol
CID 15151157
4-[(4-methoxy-2-methylphenyl)methyl]aniline
CID 90158561
4-benzyl-3-methoxyaniline
CID 22599955
benzylbenzene;ethane;methoxymethane
CID 159187560
2-benzylaniline;3,5-bis(trifluoromethyl)aniline;4-methoxyaniline
CID 159451197
2-[(dimethylamino)methyl]-5-methoxyaniline
CID 53407611
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-methoxyaniline;ethane?
The IUPAC name of 2-benzyl-5-methoxyaniline;ethane (CID 142463807) is 2-benzyl-5-methoxyaniline;ethane.
What is the SMILES notation for 2-benzyl-5-methoxyaniline;ethane?
The canonical SMILES for 2-benzyl-5-methoxyaniline;ethane is CC.COc1ccc(Cc2ccccc2)c(N)c1.
What is the InChIKey of 2-benzyl-5-methoxyaniline;ethane?
The InChIKey is WIWGBOODGRAOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO.C2H6/c1-16-13-8-7-12(14(15)10-13)9-11-5-3-2-4-6-11;1-2/h2-8,10H,9,15H2,1H3;1-2H3.
What are the key properties of 2-benzyl-5-methoxyaniline;ethane?
2-benzyl-5-methoxyaniline;ethane has a molecular weight of 243.35 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-methoxyaniline;ethane is sourced from PubChem (CID 142463807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).