N-ethyl-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine;propane

C16H29NO — CID 142241556

IUPACN-ethyl-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine;propane
SMILESCCC.CCN(CC)Cc1ccc(COC)cc1
InChIInChI=1S/C13H21NO.C3H8/c1-4-14(5-2)10-12-6-8-13(9-7-12)11-15-3;1-3-2/h6-9H,4-5,10-11H2,1-3H3;3H2,1-2H3
InChIKeyCPRFTUXEWFGQFJ-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.09
Rot. Bonds6

About N-ethyl-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine;propane

N-ethyl-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine;propane (PubChem CID 142241556) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-ethyl-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine;propane.

Molecular Properties

Compound NameN-ethyl-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine;propane
PubChem CID142241556
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-ethyl-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine;propane
SMILESCCC.CCN(CC)Cc1ccc(COC)cc1
InChIInChI=1S/C13H21NO.C3H8/c1-4-14(5-2)10-12-6-8-13(9-7-12)11-15-3;1-3-2/h6-9H,4-5,10-11H2,1-3H3;3H2,1-2H3
InChIKeyCPRFTUXEWFGQFJ-UHFFFAOYSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine;propane?
The IUPAC name of N-ethyl-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine;propane (CID 142241556) is N-ethyl-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine;propane.
What is the SMILES notation for N-ethyl-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine;propane?
The canonical SMILES for N-ethyl-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine;propane is CCC.CCN(CC)Cc1ccc(COC)cc1.
What is the InChIKey of N-ethyl-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine;propane?
The InChIKey is CPRFTUXEWFGQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO.C3H8/c1-4-14(5-2)10-12-6-8-13(9-7-12)11-15-3;1-3-2/h6-9H,4-5,10-11H2,1-3H3;3H2,1-2H3.
What are the key properties of N-ethyl-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine;propane?
N-ethyl-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine;propane has a molecular weight of 251.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine;propane is sourced from PubChem (CID 142241556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).