1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine

C14H23NO3 — CID 104660008

IUPAC1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine
SMILESCCCOCC(N)c1ccccc1OCCOC
InChIInChI=1S/C14H23NO3/c1-3-8-17-11-13(15)12-6-4-5-7-14(12)18-10-9-16-2/h4-7,13H,3,8-11,15H2,1-2H3
InChIKeyBRQHEWXGHRQQKU-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.14
Rot. Bonds9

About 1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine

1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine (PubChem CID 104660008) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine
PubChem CID104660008
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine
SMILESCCCOCC(N)c1ccccc1OCCOC
InChIInChI=1S/C14H23NO3/c1-3-8-17-11-13(15)12-6-4-5-7-14(12)18-10-9-16-2/h4-7,13H,3,8-11,15H2,1-2H3
InChIKeyBRQHEWXGHRQQKU-UHFFFAOYSA-N
XLogP2.14
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
1-(2-methoxyphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63686924
2-ethoxy-1-(2-propoxyphenyl)ethanamine
CID 104660329
2-(2-methoxyethoxy)-1-(2-methoxyphenyl)ethanamine
CID 43184458
(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine
CID 103402915
1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine
CID 113438261
1-[2-(2-methoxyethoxy)phenyl]-3-methylpentan-1-amine
CID 105035323
2-[3-(2-methoxyethoxy)propoxy]-1-(2-methoxyphenyl)ethanamine
CID 103401868
(1R)-1-[2-(2-propoxyethoxy)phenyl]ethanamine
CID 78948142
1-[2-(2-methoxyethoxy)phenyl]but-3-en-1-amine
CID 116660305
1-[2-(2-methoxyethoxy)phenyl]-2-methylpentan-1-amine
CID 105035286
1-(2-decoxyphenyl)propan-1-amine
CID 63501298

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine?
The IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine (CID 104660008) is 1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine is CCCOCC(N)c1ccccc1OCCOC.
What is the InChIKey of 1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine?
The InChIKey is BRQHEWXGHRQQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-8-17-11-13(15)12-6-4-5-7-14(12)18-10-9-16-2/h4-7,13H,3,8-11,15H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine?
1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine has a molecular weight of 253.34 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine is sourced from PubChem (CID 104660008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).