N-ethyl-1-(3-iodophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine

C18H22INO — CID 115826666

IUPACN-ethyl-1-(3-iodophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(C)ccc1OC)c1cccc(I)c1
InChIInChI=1S/C18H22INO/c1-4-20-17(14-6-5-7-16(19)11-14)12-15-10-13(2)8-9-18(15)21-3/h5-11,17,20H,4,12H2,1-3H3
InChIKeyVDXULPQYIFWSEA-UHFFFAOYSA-N
MW395.28 g/mol
LogP4.50
Rot. Bonds6

About N-ethyl-1-(3-iodophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine

N-ethyl-1-(3-iodophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 115826666) has the molecular formula C18H22INO and a molecular weight of 395.28 g/mol. Its IUPAC name is N-ethyl-1-(3-iodophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-iodophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID115826666
Molecular FormulaC18H22INO
Molecular Weight395.28 g/mol
Exact Mass395.07
IUPAC NameN-ethyl-1-(3-iodophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(C)ccc1OC)c1cccc(I)c1
InChIInChI=1S/C18H22INO/c1-4-20-17(14-6-5-7-16(19)11-14)12-15-10-13(2)8-9-18(15)21-3/h5-11,17,20H,4,12H2,1-3H3
InChIKeyVDXULPQYIFWSEA-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(2-methoxy-5-methylphenyl)-1-pyridin-4-ylethanamine
CID 62161192
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-iodophenyl)ethanamine
CID 115829862
N-ethyl-3-(2-methoxy-5-methylphenyl)-1-phenylpropan-1-amine
CID 62159966
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115844893
N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105118074
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-phenylpropan-2-amine
CID 62160348
N-ethyl-1-(4-methoxy-3-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 43493617
1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 103405432
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 105118243
2-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414164
N-ethyl-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 115864174
1-(3-chloro-4-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 62388356

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-iodophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(3-iodophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine (CID 115826666) is N-ethyl-1-(3-iodophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-iodophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-iodophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine is CCNC(Cc1cc(C)ccc1OC)c1cccc(I)c1.
What is the InChIKey of N-ethyl-1-(3-iodophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is VDXULPQYIFWSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22INO/c1-4-20-17(14-6-5-7-16(19)11-14)12-15-10-13(2)8-9-18(15)21-3/h5-11,17,20H,4,12H2,1-3H3.
What are the key properties of N-ethyl-1-(3-iodophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine?
N-ethyl-1-(3-iodophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 395.28 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-iodophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 115826666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).