N-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine

C16H27NO3 — CID 106449790

IUPACN-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)c(OCCOCC(C)C)c1
InChIInChI=1S/C16H27NO3/c1-5-17-11-14-6-7-15(18-4)16(10-14)20-9-8-19-12-13(2)3/h6-7,10,13,17H,5,8-9,11-12H2,1-4H3
InChIKeyQNAQGACPNOGSHK-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.86
Rot. Bonds10

About N-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine

N-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine (PubChem CID 106449790) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
PubChem CID106449790
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)c(OCCOCC(C)C)c1
InChIInChI=1S/C16H27NO3/c1-5-17-11-14-6-7-15(18-4)16(10-14)20-9-8-19-12-13(2)3/h6-7,10,13,17H,5,8-9,11-12H2,1-4H3
InChIKeyQNAQGACPNOGSHK-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-[[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 61484060
N-[[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106449780
N-[[4-[2-(2-methylpropoxy)ethoxy]-3-nitrophenyl]methyl]ethanamine
CID 106449730
N-[[3-[2-(2-methylpropoxy)ethoxy]-4-nitrophenyl]methyl]ethanamine
CID 106450084
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449683
2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylamino]ethanol
CID 110878918
methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate
CID 63950104
N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65176463
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584619
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
2-methoxy-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 39366584

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine (CID 106449790) is N-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine is CCNCc1ccc(OC)c(OCCOCC(C)C)c1.
What is the InChIKey of N-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is QNAQGACPNOGSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-17-11-14-6-7-15(18-4)16(10-14)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-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine?
N-[[4-methoxy-3-[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-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 106449790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).