N-[2-(2-chloroethoxy)ethyl]-2-(4-methoxyphenyl)ethanamine

C13H20ClNO2 — CID 65446138

IUPACN-[2-(2-chloroethoxy)ethyl]-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCCOCCCl)cc1
InChIInChI=1S/C13H20ClNO2/c1-16-13-4-2-12(3-5-13)6-8-15-9-11-17-10-7-14/h2-5,15H,6-11H2,1H3
InChIKeyMJISBBBAJDKSSX-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.08
Rot. Bonds9

About N-[2-(2-chloroethoxy)ethyl]-2-(4-methoxyphenyl)ethanamine

N-[2-(2-chloroethoxy)ethyl]-2-(4-methoxyphenyl)ethanamine (PubChem CID 65446138) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-2-(4-methoxyphenyl)ethanamine
PubChem CID65446138
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCCOCCCl)cc1
InChIInChI=1S/C13H20ClNO2/c1-16-13-4-2-12(3-5-13)6-8-15-9-11-17-10-7-14/h2-5,15H,6-11H2,1H3
InChIKeyMJISBBBAJDKSSX-UHFFFAOYSA-N
XLogP2.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine
CID 43387940
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 106844226
N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine
CID 114505272
N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
CID 23394676
N-[[4-(chloromethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 107232979
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 65447103
2-[2-(4-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210163
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 106140377
2-[2-(4-methoxyphenyl)ethylamino]acetonitrile
CID 28574147
N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
CID 43089137
3-[2-(4-methoxyphenyl)ethylamino]propanenitrile
CID 43082695

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2-(4-methoxyphenyl)ethanamine (CID 65446138) is N-[2-(2-chloroethoxy)ethyl]-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-2-(4-methoxyphenyl)ethanamine is COc1ccc(CCNCCOCCCl)cc1.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-2-(4-methoxyphenyl)ethanamine?
The InChIKey is MJISBBBAJDKSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-16-13-4-2-12(3-5-13)6-8-15-9-11-17-10-7-14/h2-5,15H,6-11H2,1H3.
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-2-(4-methoxyphenyl)ethanamine?
N-[2-(2-chloroethoxy)ethyl]-2-(4-methoxyphenyl)ethanamine has a molecular weight of 257.76 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 65446138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).