N,N-diethyl-3-(phenoxymethyl)aniline

C17H21NO — CID 54126573

IUPACN,N-diethyl-3-(phenoxymethyl)aniline
SMILESCCN(CC)c1cccc(COc2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-3-18(4-2)16-10-8-9-15(13-16)14-19-17-11-6-5-7-12-17/h5-13H,3-4,14H2,1-2H3
InChIKeyNRJLSCXDEWCXHU-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.11
Rot. Bonds6

About N,N-diethyl-3-(phenoxymethyl)aniline

N,N-diethyl-3-(phenoxymethyl)aniline (PubChem CID 54126573) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N,N-diethyl-3-(phenoxymethyl)aniline.

Molecular Properties

Compound NameN,N-diethyl-3-(phenoxymethyl)aniline
PubChem CID54126573
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN,N-diethyl-3-(phenoxymethyl)aniline
SMILESCCN(CC)c1cccc(COc2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-3-18(4-2)16-10-8-9-15(13-16)14-19-17-11-6-5-7-12-17/h5-13H,3-4,14H2,1-2H3
InChIKeyNRJLSCXDEWCXHU-UHFFFAOYSA-N
XLogP4.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-(diethylamino)phenoxy]methyl]benzenecarbothioamide
CID 39158567
2-(N-ethyl-3-phenylmethoxyanilino)-1-phenylethanone
CID 21420217
3-[[4-[diazenyl(phenyl)methyl]phenyl]methoxy]-N,N-diethylaniline
CID 91547953
N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4675153
N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline
CID 21407152
N,N-diethylaniline
CID 7061
N-[3-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521708
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
3-(2-aminoethyl)-N,N-diethylaniline
CID 82402430
phenoxymethylbenzene;tetradecane
CID 175006528
1-phenylmethoxy-3-propylbenzene
CID 58977798
4-[[3-(dimethylamino)phenyl]methoxy]benzonitrile
CID 82245048

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(phenoxymethyl)aniline?
The IUPAC name of N,N-diethyl-3-(phenoxymethyl)aniline (CID 54126573) is N,N-diethyl-3-(phenoxymethyl)aniline.
What is the SMILES notation for N,N-diethyl-3-(phenoxymethyl)aniline?
The canonical SMILES for N,N-diethyl-3-(phenoxymethyl)aniline is CCN(CC)c1cccc(COc2ccccc2)c1.
What is the InChIKey of N,N-diethyl-3-(phenoxymethyl)aniline?
The InChIKey is NRJLSCXDEWCXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-18(4-2)16-10-8-9-15(13-16)14-19-17-11-6-5-7-12-17/h5-13H,3-4,14H2,1-2H3.
What are the key properties of N,N-diethyl-3-(phenoxymethyl)aniline?
N,N-diethyl-3-(phenoxymethyl)aniline has a molecular weight of 255.36 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(phenoxymethyl)aniline is sourced from PubChem (CID 54126573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).