2-tert-butyl-6-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]phenol;propane

C26H41NO2 — CID 142912505

IUPAC2-tert-butyl-6-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]phenol;propane
SMILESCCC.CCN(CC)CCOc1ccccc1Cc1cccc(C(C)(C)C)c1O
InChIInChI=1S/C23H33NO2.C3H8/c1-6-24(7-2)15-16-26-21-14-9-8-11-18(21)17-19-12-10-13-20(22(19)25)23(3,4)5;1-3-2/h8-14,25H,6-7,15-17H2,1-5H3;3H2,1-2H3
InChIKeyZYIABKXHRJHQQY-UHFFFAOYSA-N
MW399.62 g/mol
LogP6.42
Rot. Bonds8

About 2-tert-butyl-6-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]phenol;propane

2-tert-butyl-6-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]phenol;propane (PubChem CID 142912505) has the molecular formula C26H41NO2 and a molecular weight of 399.62 g/mol. Its IUPAC name is 2-tert-butyl-6-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]phenol;propane.

Molecular Properties

Compound Name2-tert-butyl-6-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]phenol;propane
PubChem CID142912505
Molecular FormulaC26H41NO2
Molecular Weight399.62 g/mol
Exact Mass399.31
IUPAC Name2-tert-butyl-6-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]phenol;propane
SMILESCCC.CCN(CC)CCOc1ccccc1Cc1cccc(C(C)(C)C)c1O
InChIInChI=1S/C23H33NO2.C3H8/c1-6-24(7-2)15-16-26-21-14-9-8-11-18(21)17-19-12-10-13-20(22(19)25)23(3,4)5;1-3-2/h8-14,25H,6-7,15-17H2,1-5H3;3H2,1-2H3
InChIKeyZYIABKXHRJHQQY-UHFFFAOYSA-N
XLogP6.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.62
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209
2-tert-butyl-6-[[ethyl(2-hydroxyethyl)amino]methyl]phenol
CID 21199770
2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)methyl]phenol;bis(propan-2-ol);titanium
CID 134902928
2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine
CID 63691253
N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-ethylethanamine
CID 63696644
2-ethoxy-N-ethyl-N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]ethanamine
CID 63691254
[2-[2-(diethylamino)ethoxy]phenyl]boronic acid
CID 43145279
2-tert-butyl-6-[(2,3-dimethylphenyl)methyl]phenol
CID 22216122
1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide
CID 117068814
(2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide
CID 119848384
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 43277400
2-[2,3-bis[2-(diethylamino)ethoxy]phenoxy]-N,N-diethylethanamine;iodoethane
CID 22114543

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]phenol;propane?
The IUPAC name of 2-tert-butyl-6-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]phenol;propane (CID 142912505) is 2-tert-butyl-6-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]phenol;propane.
What is the SMILES notation for 2-tert-butyl-6-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]phenol;propane?
The canonical SMILES for 2-tert-butyl-6-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]phenol;propane is CCC.CCN(CC)CCOc1ccccc1Cc1cccc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]phenol;propane?
The InChIKey is ZYIABKXHRJHQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2.C3H8/c1-6-24(7-2)15-16-26-21-14-9-8-11-18(21)17-19-12-10-13-20(22(19)25)23(3,4)5;1-3-2/h8-14,25H,6-7,15-17H2,1-5H3;3H2,1-2H3.
What are the key properties of 2-tert-butyl-6-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]phenol;propane?
2-tert-butyl-6-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]phenol;propane has a molecular weight of 399.62 g/mol, XLogP of 6.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]phenol;propane is sourced from PubChem (CID 142912505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).