N,N-dimethyl-4-[2-(4-phenylphenoxy)ethyl]aniline

C22H23NO — CID 501370

IUPACN,N-dimethyl-4-[2-(4-phenylphenoxy)ethyl]aniline
SMILESCN(C)c1ccc(CCOc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H23NO/c1-23(2)21-12-8-18(9-13-21)16-17-24-22-14-10-20(11-15-22)19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3
InChIKeyNHYPPFFKPKXMQH-UHFFFAOYSA-N
MW317.43 g/mol
LogP5.04
Rot. Bonds6

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

N,N-dimethyl-4-[2-(4-phenylphenoxy)ethyl]aniline (PubChem CID 501370) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(4-phenylphenoxy)ethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(4-phenylphenoxy)ethyl]aniline
PubChem CID501370
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC NameN,N-dimethyl-4-[2-(4-phenylphenoxy)ethyl]aniline
SMILESCN(C)c1ccc(CCOc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H23NO/c1-23(2)21-12-8-18(9-13-21)16-17-24-22-14-10-20(11-15-22)19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3
InChIKeyNHYPPFFKPKXMQH-UHFFFAOYSA-N
XLogP5.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

Florbetaben (18F)
CID 11501341
Florbetaben unlabelled
CID 53257383
4-[Bis[4-(dimethylamino)phenyl]methyl]phenol
CID 221110
4,4'-[(4-Methoxyphenyl)methylene]bis(N,N-dimethylaniline)
CID 348623
1-[4-(Dimethylamino)phenyl]-5-(4-methoxyphenyl)-1,4-pentadien-3-one
CID 869055
1-Methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]piperazine
CID 57672016
1-[3-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10406366
4-[(4-iodophenyl)methoxy]-N,N-dimethylaniline
CID 76283253
((4-((2-(4-Cyclohexylphenoxy)ethyl)ethylamino)-2-methylphenyl)methylene)malononitrile
CID 104687
cis-1-(4-(3-Methoxyphenyl)cyclohexyl)-4-phenylpiperazine
CID 10247330
1-[2-(7-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10665424
1-[2-(6-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10807686

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(4-phenylphenoxy)ethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[2-(4-phenylphenoxy)ethyl]aniline (CID 501370) is N,N-dimethyl-4-[2-(4-phenylphenoxy)ethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[2-(4-phenylphenoxy)ethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[2-(4-phenylphenoxy)ethyl]aniline is CN(C)c1ccc(CCOc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-(4-phenylphenoxy)ethyl]aniline?
The InChIKey is NHYPPFFKPKXMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-23(2)21-12-8-18(9-13-21)16-17-24-22-14-10-20(11-15-22)19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[2-(4-phenylphenoxy)ethyl]aniline?
N,N-dimethyl-4-[2-(4-phenylphenoxy)ethyl]aniline has a molecular weight of 317.43 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(4-phenylphenoxy)ethyl]aniline is sourced from PubChem (CID 501370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).