2-[2-(diethylamino)ethyl]-3,5-di(propan-2-yl)phenol

C18H31NO — CID 90460717

IUPAC2-[2-(diethylamino)ethyl]-3,5-di(propan-2-yl)phenol
SMILESCCN(CC)CCc1c(O)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C18H31NO/c1-7-19(8-2)10-9-16-17(14(5)6)11-15(13(3)4)12-18(16)20/h11-14,20H,7-10H2,1-6H3
InChIKeyBCZPQCGEMKOQAN-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.52
Rot. Bonds7

About 2-[2-(diethylamino)ethyl]-3,5-di(propan-2-yl)phenol

2-[2-(diethylamino)ethyl]-3,5-di(propan-2-yl)phenol (PubChem CID 90460717) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-3,5-di(propan-2-yl)phenol.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-3,5-di(propan-2-yl)phenol
PubChem CID90460717
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-[2-(diethylamino)ethyl]-3,5-di(propan-2-yl)phenol
SMILESCCN(CC)CCc1c(O)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C18H31NO/c1-7-19(8-2)10-9-16-17(14(5)6)11-15(13(3)4)12-18(16)20/h11-14,20H,7-10H2,1-6H3
InChIKeyBCZPQCGEMKOQAN-UHFFFAOYSA-N
XLogP4.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-3,5-di(propan-2-yl)phenol?
The IUPAC name of 2-[2-(diethylamino)ethyl]-3,5-di(propan-2-yl)phenol (CID 90460717) is 2-[2-(diethylamino)ethyl]-3,5-di(propan-2-yl)phenol.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-3,5-di(propan-2-yl)phenol?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-3,5-di(propan-2-yl)phenol is CCN(CC)CCc1c(O)cc(C(C)C)cc1C(C)C.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-3,5-di(propan-2-yl)phenol?
The InChIKey is BCZPQCGEMKOQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-19(8-2)10-9-16-17(14(5)6)11-15(13(3)4)12-18(16)20/h11-14,20H,7-10H2,1-6H3.
What are the key properties of 2-[2-(diethylamino)ethyl]-3,5-di(propan-2-yl)phenol?
2-[2-(diethylamino)ethyl]-3,5-di(propan-2-yl)phenol has a molecular weight of 277.45 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-3,5-di(propan-2-yl)phenol is sourced from PubChem (CID 90460717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).