1-(4-ethylphenyl)-2-(2-methoxyethoxy)ethanamine

C13H21NO2 — CID 43183735

IUPAC1-(4-ethylphenyl)-2-(2-methoxyethoxy)ethanamine
SMILESCCc1ccc(C(N)COCCOC)cc1
InChIInChI=1S/C13H21NO2/c1-3-11-4-6-12(7-5-11)13(14)10-16-9-8-15-2/h4-7,13H,3,8-10,14H2,1-2H3
InChIKeyGNUVJVLFXXJKPQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.91
Rot. Bonds7

About 1-(4-ethylphenyl)-2-(2-methoxyethoxy)ethanamine

1-(4-ethylphenyl)-2-(2-methoxyethoxy)ethanamine (PubChem CID 43183735) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(2-methoxyethoxy)ethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(2-methoxyethoxy)ethanamine
PubChem CID43183735
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(4-ethylphenyl)-2-(2-methoxyethoxy)ethanamine
SMILESCCc1ccc(C(N)COCCOC)cc1
InChIInChI=1S/C13H21NO2/c1-3-11-4-6-12(7-5-11)13(14)10-16-9-8-15-2/h4-7,13H,3,8-10,14H2,1-2H3
InChIKeyGNUVJVLFXXJKPQ-UHFFFAOYSA-N
XLogP1.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.91
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

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine
CID 104560552
1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine
CID 43184533
2-methoxy-1-[4-(methoxymethyl)phenyl]ethanamine
CID 18507864
(4-ethylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198378
2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine
CID 43127522
(1S)-1-(4-bromophenyl)-2-methoxyethanamine
CID 95448248
2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 16786344
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086
1-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethanamine
CID 54936821
1-ethyl-4-(1-methoxybutan-2-yl)benzene
CID 156826765
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethoxy)ethanamine
CID 43183932
propyl 3-amino-3-(4-ethylphenyl)propanoate
CID 23109989

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(2-methoxyethoxy)ethanamine?
The IUPAC name of 1-(4-ethylphenyl)-2-(2-methoxyethoxy)ethanamine (CID 43183735) is 1-(4-ethylphenyl)-2-(2-methoxyethoxy)ethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(2-methoxyethoxy)ethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-2-(2-methoxyethoxy)ethanamine is CCc1ccc(C(N)COCCOC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(2-methoxyethoxy)ethanamine?
The InChIKey is GNUVJVLFXXJKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-11-4-6-12(7-5-11)13(14)10-16-9-8-15-2/h4-7,13H,3,8-10,14H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-(2-methoxyethoxy)ethanamine?
1-(4-ethylphenyl)-2-(2-methoxyethoxy)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(2-methoxyethoxy)ethanamine is sourced from PubChem (CID 43183735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).