N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine

C25H45NO2 — CID 54796021

IUPACN-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCNCCOc1ccccc1OC
InChIInChI=1S/C25H45NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-26-22-23-28-25-20-17-16-19-24(25)27-2/h16-17,19-20,26H,3-15,18,21-23H2,1-2H3
InChIKeyCIYIGZNZIVJTBI-UHFFFAOYSA-N
MW391.64 g/mol
LogP7.14
Rot. Bonds20

About N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine

N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine (PubChem CID 54796021) has the molecular formula C25H45NO2 and a molecular weight of 391.64 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine
PubChem CID54796021
Molecular FormulaC25H45NO2
Molecular Weight391.64 g/mol
Exact Mass391.35
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCNCCOc1ccccc1OC
InChIInChI=1S/C25H45NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-26-22-23-28-25-20-17-16-19-24(25)27-2/h16-17,19-20,26H,3-15,18,21-23H2,1-2H3
InChIKeyCIYIGZNZIVJTBI-UHFFFAOYSA-N
XLogP7.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.64
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 62572725
N-[2-(2-methylphenoxy)ethyl]pentan-1-amine
CID 60684172
5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol
CID 114147540
N-[2-(2-methoxyphenoxy)ethyl]octadecanamide
CID 5113156
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
N-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine
CID 107844838
N-[3-methoxy-4-[2-(octylamino)ethoxy]phenyl]acetamide
CID 70368312
N-[2-(2-fluorophenoxy)ethyl]butan-1-amine
CID 2262293
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
N-butyl-5-(2-chlorophenoxy)pentan-1-amine
CID 2247459
N-[(2-hexoxyphenyl)methyl]hexan-1-amine
CID 54807624
5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine
CID 62449814

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine (CID 54796021) is N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine is CCCCCCCCCCCCCCCCNCCOc1ccccc1OC.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine?
The InChIKey is CIYIGZNZIVJTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-26-22-23-28-25-20-17-16-19-24(25)27-2/h16-17,19-20,26H,3-15,18,21-23H2,1-2H3.
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine?
N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine has a molecular weight of 391.64 g/mol, XLogP of 7.14, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine is sourced from PubChem (CID 54796021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).