N-methyl-2-propan-2-yloxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]ethanamine

C17H29NO2 — CID 174181431

IUPACN-methyl-2-propan-2-yloxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]ethanamine
SMILESCC(C)OCCN(C)Cc1ccc(COC(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-14(2)19-11-10-18(5)12-16-6-8-17(9-7-16)13-20-15(3)4/h6-9,14-15H,10-13H2,1-5H3
InChIKeyMPYWXRZUOQVHSK-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.47
Rot. Bonds9

About N-methyl-2-propan-2-yloxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]ethanamine

N-methyl-2-propan-2-yloxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]ethanamine (PubChem CID 174181431) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-methyl-2-propan-2-yloxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-propan-2-yloxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]ethanamine
PubChem CID174181431
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-methyl-2-propan-2-yloxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]ethanamine
SMILESCC(C)OCCN(C)Cc1ccc(COC(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-14(2)19-11-10-18(5)12-16-6-8-17(9-7-16)13-20-15(3)4/h6-9,14-15H,10-13H2,1-5H3
InChIKeyMPYWXRZUOQVHSK-UHFFFAOYSA-N
XLogP3.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-yloxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-methyl-2-propan-2-yloxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]ethanamine (CID 174181431) is N-methyl-2-propan-2-yloxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-methyl-2-propan-2-yloxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-methyl-2-propan-2-yloxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]ethanamine is CC(C)OCCN(C)Cc1ccc(COC(C)C)cc1.
What is the InChIKey of N-methyl-2-propan-2-yloxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]ethanamine?
The InChIKey is MPYWXRZUOQVHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14(2)19-11-10-18(5)12-16-6-8-17(9-7-16)13-20-15(3)4/h6-9,14-15H,10-13H2,1-5H3.
What are the key properties of N-methyl-2-propan-2-yloxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]ethanamine?
N-methyl-2-propan-2-yloxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]ethanamine has a molecular weight of 279.42 g/mol, XLogP of 3.47, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-yloxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 174181431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).