N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine

C14H23NO2 — CID 62450058

IUPACN-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
SMILESCCCOCCOc1cccc(CNCC)c1
InChIInChI=1S/C14H23NO2/c1-3-8-16-9-10-17-14-7-5-6-13(11-14)12-15-4-2/h5-7,11,15H,3-4,8-10,12H2,1-2H3
InChIKeyHJSMOAVAAGZLOK-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.60
Rot. Bonds9

About N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine

N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine (PubChem CID 62450058) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
PubChem CID62450058
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
SMILESCCCOCCOc1cccc(CNCC)c1
InChIInChI=1S/C14H23NO2/c1-3-8-16-9-10-17-14-7-5-6-13(11-14)12-15-4-2/h5-7,11,15H,3-4,8-10,12H2,1-2H3
InChIKeyHJSMOAVAAGZLOK-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.60
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-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62455235
[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586
N-[[3-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]methyl]propan-1-amine
CID 62458587
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide
CID 62324546
1-ethoxy-3-[3-(ethylaminomethyl)phenoxy]propan-2-ol
CID 63933123
2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine
CID 63692328
N-[[3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 92927972
[3-(ethylaminomethyl)phenyl] hypochlorite
CID 163518139

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine (CID 62450058) is N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine is CCCOCCOc1cccc(CNCC)c1.
What is the InChIKey of N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine?
The InChIKey is HJSMOAVAAGZLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-8-16-9-10-17-14-7-5-6-13(11-14)12-15-4-2/h5-7,11,15H,3-4,8-10,12H2,1-2H3.
What are the key properties of N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine?
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 62450058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).