4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline

C20H20N2O — CID 70667408

IUPAC4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline
SMILESCC(c1ccc(N)cc1)c1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/C20H20N2O/c1-14(15-2-6-17(21)7-3-15)16-4-10-19(11-5-16)23-20-12-8-18(22)9-13-20/h2-14H,21-22H2,1H3
InChIKeyIXVFFWPTHYWRDG-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.80
Rot. Bonds4

About 4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline

4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline (PubChem CID 70667408) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline.

Molecular Properties

Compound Name4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline
PubChem CID70667408
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline
SMILESCC(c1ccc(N)cc1)c1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/C20H20N2O/c1-14(15-2-6-17(21)7-3-15)16-4-10-19(11-5-16)23-20-12-8-18(22)9-13-20/h2-14H,21-22H2,1H3
InChIKeyIXVFFWPTHYWRDG-UHFFFAOYSA-N
XLogP4.80
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[1-(4-methoxyphenyl)ethyl]aniline
CID 11644284
4-[4-[1-[4-(4-aminophenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 139712997
4-(4-aminophenoxy)aniline
CID 161415647
4-[4-[1,1,1-tris[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 172849484
4-(4-pentan-2-ylphenoxy)aniline
CID 19386569
4-[4-(4-aminobutan-2-yl)phenoxy]aniline
CID 116996697
4-[4-[1-[4-(4-amino-3-methoxyphenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 139713080
4-[4-[3-[4-(4-aminophenoxy)phenyl]butyl]phenoxy]aniline
CID 18363730
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
1-(1-bromoethyl)-4-[4-(1-bromoethyl)phenoxy]benzene
CID 21417768
4-phenoxyaniline
CID 158390066
4-methyl-3-(4-propan-2-ylphenoxy)aniline
CID 155433623

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline?
The IUPAC name of 4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline (CID 70667408) is 4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline.
What is the SMILES notation for 4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline?
The canonical SMILES for 4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline is CC(c1ccc(N)cc1)c1ccc(Oc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline?
The InChIKey is IXVFFWPTHYWRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-14(15-2-6-17(21)7-3-15)16-4-10-19(11-5-16)23-20-12-8-18(22)9-13-20/h2-14H,21-22H2,1H3.
What are the key properties of 4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline?
4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline has a molecular weight of 304.39 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline is sourced from PubChem (CID 70667408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).