2,6-bis(2-aminoethyl)-4-[3,5-bis(2-aminoethyl)-4-hydroxyphenyl]phenol

C20H30N4O2 — CID 86576071

IUPAC2,6-bis(2-aminoethyl)-4-[3,5-bis(2-aminoethyl)-4-hydroxyphenyl]phenol
SMILESNCCc1cc(-c2cc(CCN)c(O)c(CCN)c2)cc(CCN)c1O
InChIInChI=1S/C20H30N4O2/c21-5-1-13-9-17(10-14(2-6-22)19(13)25)18-11-15(3-7-23)20(26)16(12-18)4-8-24/h9-12,25-26H,1-8,21-24H2
InChIKeyFNRHHGJVWIBUTJ-UHFFFAOYSA-N
MW358.49 g/mol
LogP0.77
Rot. Bonds9

About 2,6-bis(2-aminoethyl)-4-[3,5-bis(2-aminoethyl)-4-hydroxyphenyl]phenol

2,6-bis(2-aminoethyl)-4-[3,5-bis(2-aminoethyl)-4-hydroxyphenyl]phenol (PubChem CID 86576071) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2,6-bis(2-aminoethyl)-4-[3,5-bis(2-aminoethyl)-4-hydroxyphenyl]phenol.

Molecular Properties

Compound Name2,6-bis(2-aminoethyl)-4-[3,5-bis(2-aminoethyl)-4-hydroxyphenyl]phenol
PubChem CID86576071
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2,6-bis(2-aminoethyl)-4-[3,5-bis(2-aminoethyl)-4-hydroxyphenyl]phenol
SMILESNCCc1cc(-c2cc(CCN)c(O)c(CCN)c2)cc(CCN)c1O
InChIInChI=1S/C20H30N4O2/c21-5-1-13-9-17(10-14(2-6-22)19(13)25)18-11-15(3-7-23)20(26)16(12-18)4-8-24/h9-12,25-26H,1-8,21-24H2
InChIKeyFNRHHGJVWIBUTJ-UHFFFAOYSA-N
XLogP0.77
TPSA144.54 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 50.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-aminoethyl)-4-[3,5-bis(2-aminoethyl)-4-hydroxyphenyl]phenol?
The IUPAC name of 2,6-bis(2-aminoethyl)-4-[3,5-bis(2-aminoethyl)-4-hydroxyphenyl]phenol (CID 86576071) is 2,6-bis(2-aminoethyl)-4-[3,5-bis(2-aminoethyl)-4-hydroxyphenyl]phenol.
What is the SMILES notation for 2,6-bis(2-aminoethyl)-4-[3,5-bis(2-aminoethyl)-4-hydroxyphenyl]phenol?
The canonical SMILES for 2,6-bis(2-aminoethyl)-4-[3,5-bis(2-aminoethyl)-4-hydroxyphenyl]phenol is NCCc1cc(-c2cc(CCN)c(O)c(CCN)c2)cc(CCN)c1O.
What is the InChIKey of 2,6-bis(2-aminoethyl)-4-[3,5-bis(2-aminoethyl)-4-hydroxyphenyl]phenol?
The InChIKey is FNRHHGJVWIBUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c21-5-1-13-9-17(10-14(2-6-22)19(13)25)18-11-15(3-7-23)20(26)16(12-18)4-8-24/h9-12,25-26H,1-8,21-24H2.
What are the key properties of 2,6-bis(2-aminoethyl)-4-[3,5-bis(2-aminoethyl)-4-hydroxyphenyl]phenol?
2,6-bis(2-aminoethyl)-4-[3,5-bis(2-aminoethyl)-4-hydroxyphenyl]phenol has a molecular weight of 358.49 g/mol, XLogP of 0.77, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-aminoethyl)-4-[3,5-bis(2-aminoethyl)-4-hydroxyphenyl]phenol is sourced from PubChem (CID 86576071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).