(1R)-1-(4-iodophenyl)-N-(2-methoxyethyl)ethanamine

C11H16INO — CID 93281051

IUPAC(1R)-1-(4-iodophenyl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCN[C@H](C)c1ccc(I)cc1
InChIInChI=1S/C11H16INO/c1-9(13-7-8-14-2)10-3-5-11(12)6-4-10/h3-6,9,13H,7-8H2,1-2H3/t9-/m1/s1
InChIKeySKVCLNXOLWVPFD-SECBINFHSA-N
MW305.16 g/mol
LogP2.59
Rot. Bonds5

About (1R)-1-(4-iodophenyl)-N-(2-methoxyethyl)ethanamine

(1R)-1-(4-iodophenyl)-N-(2-methoxyethyl)ethanamine (PubChem CID 93281051) has the molecular formula C11H16INO and a molecular weight of 305.16 g/mol. Its IUPAC name is (1R)-1-(4-iodophenyl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-iodophenyl)-N-(2-methoxyethyl)ethanamine
PubChem CID93281051
Molecular FormulaC11H16INO
Molecular Weight305.16 g/mol
Exact Mass305.03
IUPAC Name(1R)-1-(4-iodophenyl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCN[C@H](C)c1ccc(I)cc1
InChIInChI=1S/C11H16INO/c1-9(13-7-8-14-2)10-3-5-11(12)6-4-10/h3-6,9,13H,7-8H2,1-2H3/t9-/m1/s1
InChIKeySKVCLNXOLWVPFD-SECBINFHSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine
CID 26601188
4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 43426324
(1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 81357099
N-[1-(4-iodophenyl)ethyl]hexan-1-amine
CID 43769665
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine
CID 104562502
(1S)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81370691
1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
CID 104561982
N-(2-methoxyethyl)-1-thiophen-3-ylethanamine
CID 53274740
N-[1-(4-iodophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115728734
1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43200664
(1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 103179242
2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
CID 43190162

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-iodophenyl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of (1R)-1-(4-iodophenyl)-N-(2-methoxyethyl)ethanamine (CID 93281051) is (1R)-1-(4-iodophenyl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for (1R)-1-(4-iodophenyl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for (1R)-1-(4-iodophenyl)-N-(2-methoxyethyl)ethanamine is COCCN[C@H](C)c1ccc(I)cc1.
What is the InChIKey of (1R)-1-(4-iodophenyl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is SKVCLNXOLWVPFD-SECBINFHSA-N. The full InChI is InChI=1S/C11H16INO/c1-9(13-7-8-14-2)10-3-5-11(12)6-4-10/h3-6,9,13H,7-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(4-iodophenyl)-N-(2-methoxyethyl)ethanamine?
(1R)-1-(4-iodophenyl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 305.16 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-iodophenyl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 93281051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).