2-[1-[2-[1-(2-hydroxyphenyl)ethylamino]ethylamino]ethyl]phenol

C18H24N2O2 — CID 15862465

IUPAC2-[1-[2-[1-(2-hydroxyphenyl)ethylamino]ethylamino]ethyl]phenol
SMILESCC(NCCNC(C)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C18H24N2O2/c1-13(15-7-3-5-9-17(15)21)19-11-12-20-14(2)16-8-4-6-10-18(16)22/h3-10,13-14,19-22H,11-12H2,1-2H3
InChIKeyCTTJKTVUMBSNHI-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.10
Rot. Bonds7

About 2-[1-[2-[1-(2-hydroxyphenyl)ethylamino]ethylamino]ethyl]phenol

2-[1-[2-[1-(2-hydroxyphenyl)ethylamino]ethylamino]ethyl]phenol (PubChem CID 15862465) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[1-[2-[1-(2-hydroxyphenyl)ethylamino]ethylamino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[2-[1-(2-hydroxyphenyl)ethylamino]ethylamino]ethyl]phenol
PubChem CID15862465
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-[1-[2-[1-(2-hydroxyphenyl)ethylamino]ethylamino]ethyl]phenol
SMILESCC(NCCNC(C)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C18H24N2O2/c1-13(15-7-3-5-9-17(15)21)19-11-12-20-14(2)16-8-4-6-10-18(16)22/h3-10,13-14,19-22H,11-12H2,1-2H3
InChIKeyCTTJKTVUMBSNHI-UHFFFAOYSA-N
XLogP3.10
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[1-(2-hydroxyphenyl)ethylamino]ethylamino]ethyl]phenol?
The IUPAC name of 2-[1-[2-[1-(2-hydroxyphenyl)ethylamino]ethylamino]ethyl]phenol (CID 15862465) is 2-[1-[2-[1-(2-hydroxyphenyl)ethylamino]ethylamino]ethyl]phenol.
What is the SMILES notation for 2-[1-[2-[1-(2-hydroxyphenyl)ethylamino]ethylamino]ethyl]phenol?
The canonical SMILES for 2-[1-[2-[1-(2-hydroxyphenyl)ethylamino]ethylamino]ethyl]phenol is CC(NCCNC(C)c1ccccc1O)c1ccccc1O.
What is the InChIKey of 2-[1-[2-[1-(2-hydroxyphenyl)ethylamino]ethylamino]ethyl]phenol?
The InChIKey is CTTJKTVUMBSNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(15-7-3-5-9-17(15)21)19-11-12-20-14(2)16-8-4-6-10-18(16)22/h3-10,13-14,19-22H,11-12H2,1-2H3.
What are the key properties of 2-[1-[2-[1-(2-hydroxyphenyl)ethylamino]ethylamino]ethyl]phenol?
2-[1-[2-[1-(2-hydroxyphenyl)ethylamino]ethylamino]ethyl]phenol has a molecular weight of 300.40 g/mol, XLogP of 3.10, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[1-(2-hydroxyphenyl)ethylamino]ethylamino]ethyl]phenol is sourced from PubChem (CID 15862465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).