4-ethoxy-2,3,5-trimethyl-6-[[2-(5-methyl-2-propan-2-ylphenoxy)ethylamino]methyl]phenol

C24H35NO3 — CID 19957686

IUPAC4-ethoxy-2,3,5-trimethyl-6-[[2-(5-methyl-2-propan-2-ylphenoxy)ethylamino]methyl]phenol
SMILESCCOc1c(C)c(C)c(O)c(CNCCOc2cc(C)ccc2C(C)C)c1C
InChIInChI=1S/C24H35NO3/c1-8-27-24-18(6)17(5)23(26)21(19(24)7)14-25-11-12-28-22-13-16(4)9-10-20(22)15(2)3/h9-10,13,15,25-26H,8,11-12,14H2,1-7H3
InChIKeyQELFDPYFXXPHKO-UHFFFAOYSA-N
MW385.55 g/mol
LogP5.32
Rot. Bonds9

About 4-ethoxy-2,3,5-trimethyl-6-[[2-(5-methyl-2-propan-2-ylphenoxy)ethylamino]methyl]phenol

4-ethoxy-2,3,5-trimethyl-6-[[2-(5-methyl-2-propan-2-ylphenoxy)ethylamino]methyl]phenol (PubChem CID 19957686) has the molecular formula C24H35NO3 and a molecular weight of 385.55 g/mol. Its IUPAC name is 4-ethoxy-2,3,5-trimethyl-6-[[2-(5-methyl-2-propan-2-ylphenoxy)ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-ethoxy-2,3,5-trimethyl-6-[[2-(5-methyl-2-propan-2-ylphenoxy)ethylamino]methyl]phenol
PubChem CID19957686
Molecular FormulaC24H35NO3
Molecular Weight385.55 g/mol
Exact Mass385.26
IUPAC Name4-ethoxy-2,3,5-trimethyl-6-[[2-(5-methyl-2-propan-2-ylphenoxy)ethylamino]methyl]phenol
SMILESCCOc1c(C)c(C)c(O)c(CNCCOc2cc(C)ccc2C(C)C)c1C
InChIInChI=1S/C24H35NO3/c1-8-27-24-18(6)17(5)23(26)21(19(24)7)14-25-11-12-28-22-13-16(4)9-10-20(22)15(2)3/h9-10,13,15,25-26H,8,11-12,14H2,1-7H3
InChIKeyQELFDPYFXXPHKO-UHFFFAOYSA-N
XLogP5.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 55.32
H-Bond Donors ≤ 52
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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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 54798989
3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 63506069
3-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine
CID 4136006
methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate
CID 4280995
4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine
CID 43118963
2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62573045
3-(5-methyl-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine chloride
CID 53347743
5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine
CID 63504935
N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 78759998
3,5-dichloro-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline
CID 54796892
4-(2-ethoxyethoxy)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]aniline
CID 54801159
3-chloro-5-ethoxy-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]benzoic acid
CID 20990035

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,3,5-trimethyl-6-[[2-(5-methyl-2-propan-2-ylphenoxy)ethylamino]methyl]phenol?
The IUPAC name of 4-ethoxy-2,3,5-trimethyl-6-[[2-(5-methyl-2-propan-2-ylphenoxy)ethylamino]methyl]phenol (CID 19957686) is 4-ethoxy-2,3,5-trimethyl-6-[[2-(5-methyl-2-propan-2-ylphenoxy)ethylamino]methyl]phenol.
What is the SMILES notation for 4-ethoxy-2,3,5-trimethyl-6-[[2-(5-methyl-2-propan-2-ylphenoxy)ethylamino]methyl]phenol?
The canonical SMILES for 4-ethoxy-2,3,5-trimethyl-6-[[2-(5-methyl-2-propan-2-ylphenoxy)ethylamino]methyl]phenol is CCOc1c(C)c(C)c(O)c(CNCCOc2cc(C)ccc2C(C)C)c1C.
What is the InChIKey of 4-ethoxy-2,3,5-trimethyl-6-[[2-(5-methyl-2-propan-2-ylphenoxy)ethylamino]methyl]phenol?
The InChIKey is QELFDPYFXXPHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO3/c1-8-27-24-18(6)17(5)23(26)21(19(24)7)14-25-11-12-28-22-13-16(4)9-10-20(22)15(2)3/h9-10,13,15,25-26H,8,11-12,14H2,1-7H3.
What are the key properties of 4-ethoxy-2,3,5-trimethyl-6-[[2-(5-methyl-2-propan-2-ylphenoxy)ethylamino]methyl]phenol?
4-ethoxy-2,3,5-trimethyl-6-[[2-(5-methyl-2-propan-2-ylphenoxy)ethylamino]methyl]phenol has a molecular weight of 385.55 g/mol, XLogP of 5.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,3,5-trimethyl-6-[[2-(5-methyl-2-propan-2-ylphenoxy)ethylamino]methyl]phenol is sourced from PubChem (CID 19957686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).