N-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine

C14H21NO2 — CID 55092999

IUPACN-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine
SMILESC=CCNCCOc1ccccc1OCCC
InChIInChI=1S/C14H21NO2/c1-3-9-15-10-12-17-14-8-6-5-7-13(14)16-11-4-2/h3,5-8,15H,1,4,9-12H2,2H3
InChIKeyNALJEPZYSMNSTR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.63
Rot. Bonds9

About N-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine

N-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine (PubChem CID 55092999) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine
PubChem CID55092999
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine
SMILESC=CCNCCOc1ccccc1OCCC
InChIInChI=1S/C14H21NO2/c1-3-9-15-10-12-17-14-8-6-5-7-13(14)16-11-4-2/h3,5-8,15H,1,4,9-12H2,2H3
InChIKeyNALJEPZYSMNSTR-UHFFFAOYSA-N
XLogP2.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(2-propoxyphenoxy)ethanamine
CID 6459111
N-[2-(2-butan-2-ylphenoxy)ethyl]prop-2-en-1-amine
CID 62572475
N-ethyl-2-(2-prop-2-enoxyphenoxy)ethanamine;hydrochloride
CID 6458959
N-benzyl-2-(2-propoxyphenoxy)ethanamine
CID 62573087
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]butan-1-amine;hydrochloride
CID 117067339
N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 62572725
N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine
CID 54796021
4-naphthalen-1-yloxy-N-prop-2-enylbutan-1-amine
CID 2249610
2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
CID 106401757
N-[2-(2-chloro-4-phenylphenoxy)ethyl]prop-2-en-1-amine
CID 62571019
ethane;1-ethoxy-2-propoxybenzene;formic acid
CID 142473049
N-[2-(2-methylphenoxy)ethyl]pentan-1-amine
CID 60684172

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine (CID 55092999) is N-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine is C=CCNCCOc1ccccc1OCCC.
What is the InChIKey of N-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine?
The InChIKey is NALJEPZYSMNSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-9-15-10-12-17-14-8-6-5-7-13(14)16-11-4-2/h3,5-8,15H,1,4,9-12H2,2H3.
What are the key properties of N-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine?
N-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 55092999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).