4-[2-[2-(4-aminophenyl)ethoxy]ethyl]aniline

C16H20N2O — CID 123368938

IUPAC4-[2-[2-(4-aminophenyl)ethoxy]ethyl]aniline
SMILESNc1ccc(CCOCCc2ccc(N)cc2)cc1
InChIInChI=1S/C16H20N2O/c17-15-5-1-13(2-6-15)9-11-19-12-10-14-3-7-16(18)8-4-14/h1-8H,9-12,17-18H2
InChIKeyBCQWMVHBIJJENA-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.65
Rot. Bonds6

About 4-[2-[2-(4-aminophenyl)ethoxy]ethyl]aniline

4-[2-[2-(4-aminophenyl)ethoxy]ethyl]aniline (PubChem CID 123368938) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[2-[2-(4-aminophenyl)ethoxy]ethyl]aniline.

Molecular Properties

Compound Name4-[2-[2-(4-aminophenyl)ethoxy]ethyl]aniline
PubChem CID123368938
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-[2-[2-(4-aminophenyl)ethoxy]ethyl]aniline
SMILESNc1ccc(CCOCCc2ccc(N)cc2)cc1
InChIInChI=1S/C16H20N2O/c17-15-5-1-13(2-6-15)9-11-19-12-10-14-3-7-16(18)8-4-14/h1-8H,9-12,17-18H2
InChIKeyBCQWMVHBIJJENA-UHFFFAOYSA-N
XLogP2.65
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Aminophenethyl alcohol
CID 66904
1,6-Bis(4''-aminophenyl)-hexa-1,3,5-triene
CID 11507217
Benzenamine, 4,4'-methylenebis-, reaction products with Bu glycidyl ether
CID 173095
2-(((2-Aminophenyl)methoxy)methyl)aniline
CID 12618671
2-(2-Methoxyethyl)aniline
CID 15208917
Aniline, p-(2-(2-(diethylamino)ethoxy)ethyl)-
CID 33200
Aniline, p-(2-(2-(dimethylamino)ethoxy)ethyl)-
CID 33203
Aniline, p-(2-(2-(diisopropylamino)ethoxy)ethyl)-
CID 33204
4-(2-Methoxyethyl)aniline
CID 3020135
4-(Oxetan-3-yl)aniline
CID 68057092
7-amino-3,4-dihydro-1H-2,1-benzoxaborinin-1-ol
CID 68238918
Aniline, p-(2-(2-(diethylamino)ethoxy)propyl)-
CID 33205

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-aminophenyl)ethoxy]ethyl]aniline?
The IUPAC name of 4-[2-[2-(4-aminophenyl)ethoxy]ethyl]aniline (CID 123368938) is 4-[2-[2-(4-aminophenyl)ethoxy]ethyl]aniline.
What is the SMILES notation for 4-[2-[2-(4-aminophenyl)ethoxy]ethyl]aniline?
The canonical SMILES for 4-[2-[2-(4-aminophenyl)ethoxy]ethyl]aniline is Nc1ccc(CCOCCc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[2-[2-(4-aminophenyl)ethoxy]ethyl]aniline?
The InChIKey is BCQWMVHBIJJENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-15-5-1-13(2-6-15)9-11-19-12-10-14-3-7-16(18)8-4-14/h1-8H,9-12,17-18H2.
What are the key properties of 4-[2-[2-(4-aminophenyl)ethoxy]ethyl]aniline?
4-[2-[2-(4-aminophenyl)ethoxy]ethyl]aniline has a molecular weight of 256.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-aminophenyl)ethoxy]ethyl]aniline is sourced from PubChem (CID 123368938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).