N-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine

C16H26INO2 — CID 107844838

IUPACN-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine
SMILESCCOc1ccccc1OCCNCCCCCCI
InChIInChI=1S/C16H26INO2/c1-2-19-15-9-5-6-10-16(15)20-14-13-18-12-8-4-3-7-11-17/h5-6,9-10,18H,2-4,7-8,11-14H2,1H3
InChIKeyVNJLMLVJNLKYDF-UHFFFAOYSA-N
MW391.29 g/mol
LogP4.05
Rot. Bonds12

About N-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine

N-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine (PubChem CID 107844838) has the molecular formula C16H26INO2 and a molecular weight of 391.29 g/mol. Its IUPAC name is N-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine.

Molecular Properties

Compound NameN-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine
PubChem CID107844838
Molecular FormulaC16H26INO2
Molecular Weight391.29 g/mol
Exact Mass391.10
IUPAC NameN-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine
SMILESCCOc1ccccc1OCCNCCCCCCI
InChIInChI=1S/C16H26INO2/c1-2-19-15-9-5-6-10-16(15)20-14-13-18-12-8-4-3-7-11-17/h5-6,9-10,18H,2-4,7-8,11-14H2,1H3
InChIKeyVNJLMLVJNLKYDF-UHFFFAOYSA-N
XLogP4.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 62572725
N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine
CID 54796021
4-chloro-N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 106121638
N-[2-(2-ethoxyphenoxy)ethyl]-3-(4-methoxyphenoxy)propan-1-amine;hydrochloride
CID 18793164
5-[2-(2-ethoxyphenoxy)ethylamino]-2-methylpentan-1-ol
CID 106160266
6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine
CID 2364400
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-1-amine
CID 62454697
N-[2-(2-ethoxyphenoxy)ethyl]pent-3-yn-1-amine
CID 116643905
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-2-amine
CID 55070885
N-[2-(2-methylphenoxy)ethyl]pentan-1-amine
CID 60684172
3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine
CID 55024091
N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine
CID 2280426

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine?
The IUPAC name of N-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine (CID 107844838) is N-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine.
What is the SMILES notation for N-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine?
The canonical SMILES for N-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine is CCOc1ccccc1OCCNCCCCCCI.
What is the InChIKey of N-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine?
The InChIKey is VNJLMLVJNLKYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26INO2/c1-2-19-15-9-5-6-10-16(15)20-14-13-18-12-8-4-3-7-11-17/h5-6,9-10,18H,2-4,7-8,11-14H2,1H3.
What are the key properties of N-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine?
N-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine has a molecular weight of 391.29 g/mol, XLogP of 4.05, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine is sourced from PubChem (CID 107844838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).