2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline

C17H21NO — CID 55088100

IUPAC2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline
SMILESCc1ccccc1NCCOC(C)c1ccccc1
InChIInChI=1S/C17H21NO/c1-14-8-6-7-11-17(14)18-12-13-19-15(2)16-9-4-3-5-10-16/h3-11,15,18H,12-13H2,1-2H3
InChIKeyXMVGFBKIJJSWMN-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.18
Rot. Bonds6

About 2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline

2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline (PubChem CID 55088100) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline
PubChem CID55088100
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline
SMILESCc1ccccc1NCCOC(C)c1ccccc1
InChIInChI=1S/C17H21NO/c1-14-8-6-7-11-17(14)18-12-13-19-15(2)16-9-4-3-5-10-16/h3-11,15,18H,12-13H2,1-2H3
InChIKeyXMVGFBKIJJSWMN-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline
CID 55088052
1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol
CID 60902275
2-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]aniline
CID 63505898
N-[2-(1-phenylethoxy)ethyl]propan-1-amine
CID 62444581
3,3-dimethyl-N-[2-(1-phenylethoxy)ethyl]butan-1-amine
CID 62567303
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline
CID 106450230
3-fluoro-N-[2-(1-phenylethoxy)ethyl]aniline
CID 55088099
2-ethoxy-N-[2-(1-phenylethoxy)ethyl]ethanamine
CID 62566170
2-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107875833
1-(2-bromoethoxy)ethylbenzene
CID 24688557
4-(2-methylanilino)butan-2-ol
CID 112693026
N-(3-bromobutyl)-2-methylaniline
CID 90819159

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline?
The IUPAC name of 2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline (CID 55088100) is 2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline.
What is the SMILES notation for 2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline?
The canonical SMILES for 2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline is Cc1ccccc1NCCOC(C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline?
The InChIKey is XMVGFBKIJJSWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-14-8-6-7-11-17(14)18-12-13-19-15(2)16-9-4-3-5-10-16/h3-11,15,18H,12-13H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline?
2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline has a molecular weight of 255.36 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-phenylethoxy)ethyl]aniline is sourced from PubChem (CID 55088100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).