2-(ethoxymethyl)-N-(2-phenylethyl)aniline

C17H21NO — CID 43750318

IUPAC2-(ethoxymethyl)-N-(2-phenylethyl)aniline
SMILESCCOCc1ccccc1NCCc1ccccc1
InChIInChI=1S/C17H21NO/c1-2-19-14-16-10-6-7-11-17(16)18-13-12-15-8-4-3-5-9-15/h3-11,18H,2,12-14H2,1H3
InChIKeyXZYWLTZKKYOVRP-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.88
Rot. Bonds7

About 2-(ethoxymethyl)-N-(2-phenylethyl)aniline

2-(ethoxymethyl)-N-(2-phenylethyl)aniline (PubChem CID 43750318) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-(2-phenylethyl)aniline
PubChem CID43750318
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-(ethoxymethyl)-N-(2-phenylethyl)aniline
SMILESCCOCc1ccccc1NCCc1ccccc1
InChIInChI=1S/C17H21NO/c1-2-19-14-16-10-6-7-11-17(16)18-13-12-15-8-4-3-5-9-15/h3-11,18H,2,12-14H2,1H3
InChIKeyXZYWLTZKKYOVRP-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethoxymethyl)-N-ethylaniline
CID 43750443
2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43750320
2-benzyl-N-[2-(4-methylphenyl)ethyl]aniline
CID 22457026
2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62759362
N-(3-phenylpropyl)-2-propylaniline
CID 43687217
N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline
CID 43750279
N-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline
CID 79968881
(213C)ethoxymethylbenzene
CID 87947851
2-(ethoxymethyl)-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637775
4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol
CID 79832570
2-(ethoxymethyl)-N-(thiophen-2-ylmethyl)aniline
CID 43750319
ethoxymethylbenzene;propylbenzene
CID 174975433

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-(2-phenylethyl)aniline?
The IUPAC name of 2-(ethoxymethyl)-N-(2-phenylethyl)aniline (CID 43750318) is 2-(ethoxymethyl)-N-(2-phenylethyl)aniline.
What is the SMILES notation for 2-(ethoxymethyl)-N-(2-phenylethyl)aniline?
The canonical SMILES for 2-(ethoxymethyl)-N-(2-phenylethyl)aniline is CCOCc1ccccc1NCCc1ccccc1.
What is the InChIKey of 2-(ethoxymethyl)-N-(2-phenylethyl)aniline?
The InChIKey is XZYWLTZKKYOVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-19-14-16-10-6-7-11-17(16)18-13-12-15-8-4-3-5-9-15/h3-11,18H,2,12-14H2,1H3.
What are the key properties of 2-(ethoxymethyl)-N-(2-phenylethyl)aniline?
2-(ethoxymethyl)-N-(2-phenylethyl)aniline has a molecular weight of 255.36 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-(2-phenylethyl)aniline is sourced from PubChem (CID 43750318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).