N-ethyl-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine

C18H22INO — CID 115864174

IUPACN-ethyl-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(I)cc1)c1cc(C)ccc1OC
InChIInChI=1S/C18H22INO/c1-4-20-17(12-14-6-8-15(19)9-7-14)16-11-13(2)5-10-18(16)21-3/h5-11,17,20H,4,12H2,1-3H3
InChIKeyFSKSDRHCPNSTHA-UHFFFAOYSA-N
MW395.28 g/mol
LogP4.50
Rot. Bonds6

About N-ethyl-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine

N-ethyl-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 115864174) has the molecular formula C18H22INO and a molecular weight of 395.28 g/mol. Its IUPAC name is N-ethyl-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID115864174
Molecular FormulaC18H22INO
Molecular Weight395.28 g/mol
Exact Mass395.07
IUPAC NameN-ethyl-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(I)cc1)c1cc(C)ccc1OC
InChIInChI=1S/C18H22INO/c1-4-20-17(12-14-6-8-15(19)9-7-14)16-11-13(2)5-10-18(16)21-3/h5-11,17,20H,4,12H2,1-3H3
InChIKeyFSKSDRHCPNSTHA-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

2-(4-chlorophenyl)-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43626354
2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115864110
[2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105310239
2-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106792439
N-ethyl-1-(2-methoxy-5-methylphenyl)-4-methylpentan-1-amine
CID 43626298
1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 115533968
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine
CID 114874388
1-(5-bromo-2-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 63507204
1-(2,5-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864340
2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43492237
2-cyclopentyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 60778145
N-ethyl-3-(2-methoxyethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 102928464

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine (CID 115864174) is N-ethyl-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine is CCNC(Cc1ccc(I)cc1)c1cc(C)ccc1OC.
What is the InChIKey of N-ethyl-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is FSKSDRHCPNSTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22INO/c1-4-20-17(12-14-6-8-15(19)9-7-14)16-11-13(2)5-10-18(16)21-3/h5-11,17,20H,4,12H2,1-3H3.
What are the key properties of N-ethyl-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
N-ethyl-2-(4-iodophenyl)-1-(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-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 115864174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).