N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline

C21H21NO — CID 54260690

IUPACN-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline
SMILESCN(CCOc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C21H21NO/c1-22(20-10-6-3-7-11-20)16-17-23-21-14-12-19(13-15-21)18-8-4-2-5-9-18/h2-15H,16-17H2,1H3
InChIKeyRDHGWKXTWVGFJT-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.87
Rot. Bonds6

About N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline

N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline (PubChem CID 54260690) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline
PubChem CID54260690
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC NameN-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline
SMILESCN(CCOc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C21H21NO/c1-22(20-10-6-3-7-11-20)16-17-23-21-14-12-19(13-15-21)18-8-4-2-5-9-18/h2-15H,16-17H2,1H3
InChIKeyRDHGWKXTWVGFJT-UHFFFAOYSA-N
XLogP4.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-methylanilino)ethyl (4-phenylphenyl) carbonate
CID 54270905
N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine
CID 21281384
4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid
CID 71207284
N-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]aniline
CID 15871812
N',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine
CID 2966313
4-[methyl(2-phenoxyethyl)amino]benzenecarbothioamide
CID 62969319
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700
N-(4-pentoxyphenyl)-4-[4-(N-(4-pentoxyphenyl)anilino)phenyl]-N-phenylaniline
CID 21311051
4-hydroxy-3-methyl-5-[[4-[2-(N-methylanilino)ethoxy]phenyl]methyl]-1,3-thiazol-2-one
CID 123378774
1-pentoxy-4-phenylbenzene
CID 7021155
2-(N-methyl-4-phenylanilino)ethanethiol
CID 115223791

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline?
The IUPAC name of N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline (CID 54260690) is N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline.
What is the SMILES notation for N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline?
The canonical SMILES for N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline is CN(CCOc1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline?
The InChIKey is RDHGWKXTWVGFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-22(20-10-6-3-7-11-20)16-17-23-21-14-12-19(13-15-21)18-8-4-2-5-9-18/h2-15H,16-17H2,1H3.
What are the key properties of N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline?
N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline has a molecular weight of 303.41 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline is sourced from PubChem (CID 54260690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).