2-[2-[(2-hydroxy-1-phenylethyl)-[2-(octadecylamino)ethyl]amino]ethylamino]-2-phenylethanol

C38H65N3O2 — CID 54357981

IUPAC2-[2-[(2-hydroxy-1-phenylethyl)-[2-(octadecylamino)ethyl]amino]ethylamino]-2-phenylethanol
SMILESCCCCCCCCCCCCCCCCCCNCCN(CCNC(CO)c1ccccc1)C(CO)c1ccccc1
InChIInChI=1S/C38H65N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-39-29-31-41(38(34-43)36-26-21-18-22-27-36)32-30-40-37(33-42)35-24-19-17-20-25-35/h17-22,24-27,37-40,42-43H,2-16,23,28-34H2,1H3
InChIKeyUKLVPLVOOLPEMY-UHFFFAOYSA-N
MW595.96 g/mol
LogP8.20
Rot. Bonds29

About 2-[2-[(2-hydroxy-1-phenylethyl)-[2-(octadecylamino)ethyl]amino]ethylamino]-2-phenylethanol

2-[2-[(2-hydroxy-1-phenylethyl)-[2-(octadecylamino)ethyl]amino]ethylamino]-2-phenylethanol (PubChem CID 54357981) has the molecular formula C38H65N3O2 and a molecular weight of 595.96 g/mol. Its IUPAC name is 2-[2-[(2-hydroxy-1-phenylethyl)-[2-(octadecylamino)ethyl]amino]ethylamino]-2-phenylethanol.

Molecular Properties

Compound Name2-[2-[(2-hydroxy-1-phenylethyl)-[2-(octadecylamino)ethyl]amino]ethylamino]-2-phenylethanol
PubChem CID54357981
Molecular FormulaC38H65N3O2
Molecular Weight595.96 g/mol
Exact Mass595.51
IUPAC Name2-[2-[(2-hydroxy-1-phenylethyl)-[2-(octadecylamino)ethyl]amino]ethylamino]-2-phenylethanol
SMILESCCCCCCCCCCCCCCCCCCNCCN(CCNC(CO)c1ccccc1)C(CO)c1ccccc1
InChIInChI=1S/C38H65N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-39-29-31-41(38(34-43)36-26-21-18-22-27-36)32-30-40-37(33-42)35-24-19-17-20-25-35/h17-22,24-27,37-40,42-43H,2-16,23,28-34H2,1H3
InChIKeyUKLVPLVOOLPEMY-UHFFFAOYSA-N
XLogP8.20
TPSA67.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds29
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.96
LogP ≤ 58.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[(2-hydroxy-1-phenylethyl)-[2-(octadecylamino)ethyl]amino]ethylamino]-2-phenylethanol with MolForge

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Related Compounds

2-[[(1R)-2-hydroxy-1-phenylethyl]-undecylamino]acetic acid
CID 101244047
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
N-pentyl-1-phenyldecan-1-amine
CID 10380274
cumene;N-octadecyloctadecan-1-amine
CID 67656725
4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol
CID 63183327
N-dodecyl-1-phenylethane-1,2-diamine
CID 146442827
N-(3,3-diphenylpropyl)octadecan-1-amine
CID 57060547
1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 59924188
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692
N-(3,3-diphenylpropyl)octadecan-1-amine;hydrate
CID 173442181
5-(1-phenylbutylamino)pentan-1-ol
CID 113350448
(2S)-2-[dodecyl(pyridin-2-ylmethyl)amino]-2-phenylethanol
CID 11741478

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxy-1-phenylethyl)-[2-(octadecylamino)ethyl]amino]ethylamino]-2-phenylethanol?
The IUPAC name of 2-[2-[(2-hydroxy-1-phenylethyl)-[2-(octadecylamino)ethyl]amino]ethylamino]-2-phenylethanol (CID 54357981) is 2-[2-[(2-hydroxy-1-phenylethyl)-[2-(octadecylamino)ethyl]amino]ethylamino]-2-phenylethanol.
What is the SMILES notation for 2-[2-[(2-hydroxy-1-phenylethyl)-[2-(octadecylamino)ethyl]amino]ethylamino]-2-phenylethanol?
The canonical SMILES for 2-[2-[(2-hydroxy-1-phenylethyl)-[2-(octadecylamino)ethyl]amino]ethylamino]-2-phenylethanol is CCCCCCCCCCCCCCCCCCNCCN(CCNC(CO)c1ccccc1)C(CO)c1ccccc1.
What is the InChIKey of 2-[2-[(2-hydroxy-1-phenylethyl)-[2-(octadecylamino)ethyl]amino]ethylamino]-2-phenylethanol?
The InChIKey is UKLVPLVOOLPEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H65N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-39-29-31-41(38(34-43)36-26-21-18-22-27-36)32-30-40-37(33-42)35-24-19-17-20-25-35/h17-22,24-27,37-40,42-43H,2-16,23,28-34H2,1H3.
What are the key properties of 2-[2-[(2-hydroxy-1-phenylethyl)-[2-(octadecylamino)ethyl]amino]ethylamino]-2-phenylethanol?
2-[2-[(2-hydroxy-1-phenylethyl)-[2-(octadecylamino)ethyl]amino]ethylamino]-2-phenylethanol has a molecular weight of 595.96 g/mol, XLogP of 8.20, 29 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxy-1-phenylethyl)-[2-(octadecylamino)ethyl]amino]ethylamino]-2-phenylethanol is sourced from PubChem (CID 54357981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).