(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine

C16H27NO4 — CID 104560938

IUPAC(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OCCOCCOCCOC
InChIInChI=1S/C16H27NO4/c1-3-15(17)14-6-4-5-7-16(14)21-13-12-20-11-10-19-9-8-18-2/h4-7,15H,3,8-13,17H2,1-2H3/t15-/m0/s1
InChIKeyMUQCXWCEDPGDLK-HNNXBMFYSA-N
MW297.40 g/mol
LogP2.15
Rot. Bonds12

About (1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine

(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine (PubChem CID 104560938) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is (1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
PubChem CID104560938
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OCCOCCOCCOC
InChIInChI=1S/C16H27NO4/c1-3-15(17)14-6-4-5-7-16(14)21-13-12-20-11-10-19-9-8-18-2/h4-7,15H,3,8-13,17H2,1-2H3/t15-/m0/s1
InChIKeyMUQCXWCEDPGDLK-HNNXBMFYSA-N
XLogP2.15
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-1-amine
CID 103402915
1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine
CID 104660008
1-[2-(2-methoxyethoxy)phenyl]-3-methylpentan-1-amine
CID 105035323
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine
CID 113438261
(1R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939558
1-(2-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887
1-[2-(2-methoxyethoxy)phenyl]but-3-en-1-amine
CID 116660305
(1R)-1-[2-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine
CID 79014750
2-(2-methoxyethoxy)-1-(2-methoxyphenyl)ethanamine
CID 43184458

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine (CID 104560938) is (1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine is CC[C@H](N)c1ccccc1OCCOCCOCCOC.
What is the InChIKey of (1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine?
The InChIKey is MUQCXWCEDPGDLK-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-3-15(17)14-6-4-5-7-16(14)21-13-12-20-11-10-19-9-8-18-2/h4-7,15H,3,8-13,17H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine?
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine has a molecular weight of 297.40 g/mol, XLogP of 2.15, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine is sourced from PubChem (CID 104560938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).