4-[(E)-1-[4-(2-aminoethoxy)phenyl]-1-(4-aminophenyl)but-1-en-2-yl]phenol

C24H26N2O2 — CID 118735365

IUPAC4-[(E)-1-[4-(2-aminoethoxy)phenyl]-1-(4-aminophenyl)but-1-en-2-yl]phenol
SMILESCC/C(=C(/c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
InChIInChI=1S/C24H26N2O2/c1-2-23(17-5-11-21(27)12-6-17)24(18-3-9-20(26)10-4-18)19-7-13-22(14-8-19)28-16-15-25/h3-14,27H,2,15-16,25-26H2,1H3/b24-23+
InChIKeyHCWBEBHDRQKDTP-WCWDXBQESA-N
MW374.48 g/mol
LogP4.68
Rot. Bonds7

About 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-1-(4-aminophenyl)but-1-en-2-yl]phenol

4-[(E)-1-[4-(2-aminoethoxy)phenyl]-1-(4-aminophenyl)but-1-en-2-yl]phenol (PubChem CID 118735365) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-1-(4-aminophenyl)but-1-en-2-yl]phenol.

Molecular Properties

Compound Name4-[(E)-1-[4-(2-aminoethoxy)phenyl]-1-(4-aminophenyl)but-1-en-2-yl]phenol
PubChem CID118735365
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name4-[(E)-1-[4-(2-aminoethoxy)phenyl]-1-(4-aminophenyl)but-1-en-2-yl]phenol
SMILESCC/C(=C(/c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
InChIInChI=1S/C24H26N2O2/c1-2-23(17-5-11-21(27)12-6-17)24(18-3-9-20(26)10-4-18)19-7-13-22(14-8-19)28-16-15-25/h3-14,27H,2,15-16,25-26H2,1H3/b24-23+
InChIKeyHCWBEBHDRQKDTP-WCWDXBQESA-N
XLogP4.68
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-1-(4-aminophenyl)but-1-en-2-yl]phenol?
The IUPAC name of 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-1-(4-aminophenyl)but-1-en-2-yl]phenol (CID 118735365) is 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-1-(4-aminophenyl)but-1-en-2-yl]phenol.
What is the SMILES notation for 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-1-(4-aminophenyl)but-1-en-2-yl]phenol?
The canonical SMILES for 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-1-(4-aminophenyl)but-1-en-2-yl]phenol is CC/C(=C(/c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-1-(4-aminophenyl)but-1-en-2-yl]phenol?
The InChIKey is HCWBEBHDRQKDTP-WCWDXBQESA-N. The full InChI is InChI=1S/C24H26N2O2/c1-2-23(17-5-11-21(27)12-6-17)24(18-3-9-20(26)10-4-18)19-7-13-22(14-8-19)28-16-15-25/h3-14,27H,2,15-16,25-26H2,1H3/b24-23+.
What are the key properties of 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-1-(4-aminophenyl)but-1-en-2-yl]phenol?
4-[(E)-1-[4-(2-aminoethoxy)phenyl]-1-(4-aminophenyl)but-1-en-2-yl]phenol has a molecular weight of 374.48 g/mol, XLogP of 4.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-[4-(2-aminoethoxy)phenyl]-1-(4-aminophenyl)but-1-en-2-yl]phenol is sourced from PubChem (CID 118735365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).