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

C24H27NO — CID 70633219

IUPACN-ethyl-N-[2-(4-phenylphenoxy)butyl]aniline
SMILESCCC(CN(CC)c1ccccc1)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H27NO/c1-3-23(19-25(4-2)22-13-9-6-10-14-22)26-24-17-15-21(16-18-24)20-11-7-5-8-12-20/h5-18,23H,3-4,19H2,1-2H3
InChIKeyNPMLQWAHHMPNLW-UHFFFAOYSA-N
MW345.49 g/mol
LogP6.04
Rot. Bonds8

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

N-ethyl-N-[2-(4-phenylphenoxy)butyl]aniline (PubChem CID 70633219) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is N-ethyl-N-[2-(4-phenylphenoxy)butyl]aniline.

Molecular Properties

Compound NameN-ethyl-N-[2-(4-phenylphenoxy)butyl]aniline
PubChem CID70633219
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC NameN-ethyl-N-[2-(4-phenylphenoxy)butyl]aniline
SMILESCCC(CN(CC)c1ccccc1)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H27NO/c1-3-23(19-25(4-2)22-13-9-6-10-14-22)26-24-17-15-21(16-18-24)20-11-7-5-8-12-20/h5-18,23H,3-4,19H2,1-2H3
InChIKeyNPMLQWAHHMPNLW-UHFFFAOYSA-N
XLogP6.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[2-(4-ethylphenoxy)butyl]aniline
CID 70632928
N-ethyl-N-[2-(2-methylphenoxy)butyl]aniline
CID 70632478
N-ethyl-N-[2-(2-ethylphenoxy)butyl]aniline
CID 70633070
N-[2-(2,4-dichlorophenoxy)butyl]-N-ethylaniline
CID 70632627
N,N-diethylaniline
CID 7061
4-methyl-3-(4-phenylphenoxy)hexan-2-one
CID 67565039
2-amino-3-(N-ethylanilino)propan-1-ol
CID 64796105
N-[2-(bromomethyl)butyl]-N-ethylaniline
CID 65000533
1-(N-ethylanilino)butan-2-yl (2-ethylphenyl) carbonate
CID 70632038
1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-phenylanilino)phenoxy]ethanol
CID 71095144
N-[4-[4-(N-(4-nonan-3-yloxyphenyl)anilino)phenyl]phenyl]-N-phenyl-3-phosphanylaniline
CID 145470319
1-(ethoxymethoxy)-4-phenylbenzene
CID 146557132

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(4-phenylphenoxy)butyl]aniline?
The IUPAC name of N-ethyl-N-[2-(4-phenylphenoxy)butyl]aniline (CID 70633219) is N-ethyl-N-[2-(4-phenylphenoxy)butyl]aniline.
What is the SMILES notation for N-ethyl-N-[2-(4-phenylphenoxy)butyl]aniline?
The canonical SMILES for N-ethyl-N-[2-(4-phenylphenoxy)butyl]aniline is CCC(CN(CC)c1ccccc1)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-ethyl-N-[2-(4-phenylphenoxy)butyl]aniline?
The InChIKey is NPMLQWAHHMPNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-3-23(19-25(4-2)22-13-9-6-10-14-22)26-24-17-15-21(16-18-24)20-11-7-5-8-12-20/h5-18,23H,3-4,19H2,1-2H3.
What are the key properties of N-ethyl-N-[2-(4-phenylphenoxy)butyl]aniline?
N-ethyl-N-[2-(4-phenylphenoxy)butyl]aniline has a molecular weight of 345.49 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(4-phenylphenoxy)butyl]aniline is sourced from PubChem (CID 70633219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).