N-methyl-3-[4-(2-phenoxyethoxy)phenoxy]-N-propylaniline

C24H27NO3 — CID 67928177

IUPACN-methyl-3-[4-(2-phenoxyethoxy)phenoxy]-N-propylaniline
SMILESCCCN(C)c1cccc(Oc2ccc(OCCOc3ccccc3)cc2)c1
InChIInChI=1S/C24H27NO3/c1-3-16-25(2)20-8-7-11-24(19-20)28-23-14-12-22(13-15-23)27-18-17-26-21-9-5-4-6-10-21/h4-15,19H,3,16-18H2,1-2H3
InChIKeyATIXQQIJQFKPFP-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.78
Rot. Bonds10

About N-methyl-3-[4-(2-phenoxyethoxy)phenoxy]-N-propylaniline

N-methyl-3-[4-(2-phenoxyethoxy)phenoxy]-N-propylaniline (PubChem CID 67928177) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is N-methyl-3-[4-(2-phenoxyethoxy)phenoxy]-N-propylaniline.

Molecular Properties

Compound NameN-methyl-3-[4-(2-phenoxyethoxy)phenoxy]-N-propylaniline
PubChem CID67928177
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC NameN-methyl-3-[4-(2-phenoxyethoxy)phenoxy]-N-propylaniline
SMILESCCCN(C)c1cccc(Oc2ccc(OCCOc3ccccc3)cc2)c1
InChIInChI=1S/C24H27NO3/c1-3-16-25(2)20-8-7-11-24(19-20)28-23-14-12-22(13-15-23)27-18-17-26-21-9-5-4-6-10-21/h4-15,19H,3,16-18H2,1-2H3
InChIKeyATIXQQIJQFKPFP-UHFFFAOYSA-N
XLogP5.78
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline
CID 54260690
3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline
CID 141496983
1-phenoxy-4-(3-propoxypropoxy)benzene
CID 14353104
3-[2-(diethylamino)ethoxy]-N,N-dimethylaniline
CID 58006190
4-[2-[3-(dimethylamino)phenoxy]ethoxy]benzoic acid
CID 20985248
N,N-dimethyl-3-(4-phenoxyphenyl)aniline
CID 57177626
N-[4-(4-methylphenyl)phenyl]-N-phenyl-3-[4-(N-phenylanilino)phenoxy]aniline
CID 71009566
(Z)-N-[2-(4-phenoxyphenoxy)ethoxy]propan-1-imine
CID 6438132
N-[2-(4-bromophenoxy)ethyl]-N,3-dimethylaniline
CID 63458172
4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline
CID 139670251
ethene;nonoxybenzene;phenoxybenzene
CID 174749747
benzyl (5R)-5-[[4-[2-[3-(4-methoxyphenoxy)-N-methylanilino]ethoxy]phenyl]methyl]-2,4-dioxo-1,3-thiazolidine-5-carboxylate
CID 155057990

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(2-phenoxyethoxy)phenoxy]-N-propylaniline?
The IUPAC name of N-methyl-3-[4-(2-phenoxyethoxy)phenoxy]-N-propylaniline (CID 67928177) is N-methyl-3-[4-(2-phenoxyethoxy)phenoxy]-N-propylaniline.
What is the SMILES notation for N-methyl-3-[4-(2-phenoxyethoxy)phenoxy]-N-propylaniline?
The canonical SMILES for N-methyl-3-[4-(2-phenoxyethoxy)phenoxy]-N-propylaniline is CCCN(C)c1cccc(Oc2ccc(OCCOc3ccccc3)cc2)c1.
What is the InChIKey of N-methyl-3-[4-(2-phenoxyethoxy)phenoxy]-N-propylaniline?
The InChIKey is ATIXQQIJQFKPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-3-16-25(2)20-8-7-11-24(19-20)28-23-14-12-22(13-15-23)27-18-17-26-21-9-5-4-6-10-21/h4-15,19H,3,16-18H2,1-2H3.
What are the key properties of N-methyl-3-[4-(2-phenoxyethoxy)phenoxy]-N-propylaniline?
N-methyl-3-[4-(2-phenoxyethoxy)phenoxy]-N-propylaniline has a molecular weight of 377.48 g/mol, XLogP of 5.78, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(2-phenoxyethoxy)phenoxy]-N-propylaniline is sourced from PubChem (CID 67928177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).