N'-[(5-tert-butyl-2-methoxy-3-propan-2-ylphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine

C20H36N2O — CID 59495624

IUPACN'-[(5-tert-butyl-2-methoxy-3-propan-2-ylphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCOc1c(CN(C)CCN(C)C)cc(C(C)(C)C)cc1C(C)C
InChIInChI=1S/C20H36N2O/c1-15(2)18-13-17(20(3,4)5)12-16(19(18)23-9)14-22(8)11-10-21(6)7/h12-13,15H,10-11,14H2,1-9H3
InChIKeyLWZVHBYZNYGXHA-UHFFFAOYSA-N
MW320.52 g/mol
LogP4.11
Rot. Bonds7

About N'-[(5-tert-butyl-2-methoxy-3-propan-2-ylphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[(5-tert-butyl-2-methoxy-3-propan-2-ylphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 59495624) has the molecular formula C20H36N2O and a molecular weight of 320.52 g/mol. Its IUPAC name is N'-[(5-tert-butyl-2-methoxy-3-propan-2-ylphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-tert-butyl-2-methoxy-3-propan-2-ylphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID59495624
Molecular FormulaC20H36N2O
Molecular Weight320.52 g/mol
Exact Mass320.28
IUPAC NameN'-[(5-tert-butyl-2-methoxy-3-propan-2-ylphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCOc1c(CN(C)CCN(C)C)cc(C(C)(C)C)cc1C(C)C
InChIInChI=1S/C20H36N2O/c1-15(2)18-13-17(20(3,4)5)12-16(19(18)23-9)14-22(8)11-10-21(6)7/h12-13,15H,10-11,14H2,1-9H3
InChIKeyLWZVHBYZNYGXHA-UHFFFAOYSA-N
XLogP4.11
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[(5-tert-butyl-2-methoxy-3-propan-2-ylphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[(5-tert-butyl-2-methoxy-3-propan-2-ylphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine (CID 59495624) is N'-[(5-tert-butyl-2-methoxy-3-propan-2-ylphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(5-tert-butyl-2-methoxy-3-propan-2-ylphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[(5-tert-butyl-2-methoxy-3-propan-2-ylphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine is COc1c(CN(C)CCN(C)C)cc(C(C)(C)C)cc1C(C)C.
What is the InChIKey of N'-[(5-tert-butyl-2-methoxy-3-propan-2-ylphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is LWZVHBYZNYGXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O/c1-15(2)18-13-17(20(3,4)5)12-16(19(18)23-9)14-22(8)11-10-21(6)7/h12-13,15H,10-11,14H2,1-9H3.
What are the key properties of N'-[(5-tert-butyl-2-methoxy-3-propan-2-ylphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[(5-tert-butyl-2-methoxy-3-propan-2-ylphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 320.52 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-tert-butyl-2-methoxy-3-propan-2-ylphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 59495624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).