N-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine

C16H27NO3 — CID 106449683

IUPACN-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(OC)ccc1OCCOCC(C)C
InChIInChI=1S/C16H27NO3/c1-5-17-11-14-10-15(18-4)6-7-16(14)20-9-8-19-12-13(2)3/h6-7,10,13,17H,5,8-9,11-12H2,1-4H3
InChIKeyDKUXCLYEZSAZSS-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.86
Rot. Bonds10

About N-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine

N-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine (PubChem CID 106449683) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
PubChem CID106449683
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(OC)ccc1OCCOCC(C)C
InChIInChI=1S/C16H27NO3/c1-5-17-11-14-10-15(18-4)6-7-16(14)20-9-8-19-12-13(2)3/h6-7,10,13,17H,5,8-9,11-12H2,1-4H3
InChIKeyDKUXCLYEZSAZSS-UHFFFAOYSA-N
XLogP2.86
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-methoxy-2-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 61483691
N-[[5-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine
CID 103177499
N-[[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106449993
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 55073215
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 54935590
N-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449790
2-methoxy-N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 63063528
N-[[3-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449862
N-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide
CID 62325462
N-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61493816
N-[[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 107695842
2-[2-(ethylaminomethyl)-4-methoxyphenoxy]acetonitrile
CID 60878332

Frequently Asked Questions

What is the IUPAC name of N-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine (CID 106449683) is N-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine is CCNCc1cc(OC)ccc1OCCOCC(C)C.
What is the InChIKey of N-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is DKUXCLYEZSAZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-17-11-14-10-15(18-4)6-7-16(14)20-9-8-19-12-13(2)3/h6-7,10,13,17H,5,8-9,11-12H2,1-4H3.
What are the key properties of N-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine?
N-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 106449683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).