(1R)-1-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethanamine

C14H22INO4 — CID 155251107

IUPAC(1R)-1-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethanamine
SMILESC[C@H](N)OCCOCCOCCOc1ccc(I)cc1
InChIInChI=1S/C14H22INO4/c1-12(16)19-10-8-17-6-7-18-9-11-20-14-4-2-13(15)3-5-14/h2-5,12H,6-11,16H2,1H3/t12-/m1/s1
InChIKeyBUALYHZRLSSIDT-GFCCVEGCSA-N
MW395.24 g/mol
LogP2.02
Rot. Bonds11

About (1R)-1-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethanamine

(1R)-1-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 155251107) has the molecular formula C14H22INO4 and a molecular weight of 395.24 g/mol. Its IUPAC name is (1R)-1-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID155251107
Molecular FormulaC14H22INO4
Molecular Weight395.24 g/mol
Exact Mass395.06
IUPAC Name(1R)-1-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethanamine
SMILESC[C@H](N)OCCOCCOCCOc1ccc(I)cc1
InChIInChI=1S/C14H22INO4/c1-12(16)19-10-8-17-6-7-18-9-11-20-14-4-2-13(15)3-5-14/h2-5,12H,6-11,16H2,1H3/t12-/m1/s1
InChIKeyBUALYHZRLSSIDT-GFCCVEGCSA-N
XLogP2.02
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-iodo-4-[2-(3-methylbutoxy)ethoxy]benzene
CID 63530619
2-[2-(4-iodophenoxy)ethoxy]ethyl-propan-2-ylazanium
CID 2280733
1-(2-butoxyethoxy)-4-iodobenzene
CID 25259264
N'-[2-[2-(4-iodophenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2280836
(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106450348
1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43189064
1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene
CID 141496951
1-(4-iodophenoxy)propan-1-amine;hydrochloride
CID 70072246
2-[2-[4-[(1S)-1-aminopropyl]phenoxy]ethoxy]ethanol
CID 78937234
[(2S)-butan-2-yl]-[3-(4-iodophenoxy)propyl]azanium
CID 2181983
1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024
4-[2-(3-methylbutoxy)ethoxy]aniline
CID 43366007

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of (1R)-1-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethanamine (CID 155251107) is (1R)-1-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for (1R)-1-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for (1R)-1-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethanamine is C[C@H](N)OCCOCCOCCOc1ccc(I)cc1.
What is the InChIKey of (1R)-1-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is BUALYHZRLSSIDT-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22INO4/c1-12(16)19-10-8-17-6-7-18-9-11-20-14-4-2-13(15)3-5-14/h2-5,12H,6-11,16H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethanamine?
(1R)-1-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 395.24 g/mol, XLogP of 2.02, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 155251107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).