N-ethyl-1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-amine

C18H22INO — CID 115864765

IUPACN-ethyl-1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-amine
SMILESCCNC(CCc1ccc(OC)cc1)c1cccc(I)c1
InChIInChI=1S/C18H22INO/c1-3-20-18(15-5-4-6-16(19)13-15)12-9-14-7-10-17(21-2)11-8-14/h4-8,10-11,13,18,20H,3,9,12H2,1-2H3
InChIKeyIWIYEZAQGMJUTD-UHFFFAOYSA-N
MW395.28 g/mol
LogP4.58
Rot. Bonds7

About N-ethyl-1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-amine

N-ethyl-1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-amine (PubChem CID 115864765) has the molecular formula C18H22INO and a molecular weight of 395.28 g/mol. Its IUPAC name is N-ethyl-1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-amine
PubChem CID115864765
Molecular FormulaC18H22INO
Molecular Weight395.28 g/mol
Exact Mass395.07
IUPAC NameN-ethyl-1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-amine
SMILESCCNC(CCc1ccc(OC)cc1)c1cccc(I)c1
InChIInChI=1S/C18H22INO/c1-3-20-18(15-5-4-6-16(19)13-15)12-9-14-7-10-17(21-2)11-8-14/h4-8,10-11,13,18,20H,3,9,12H2,1-2H3
InChIKeyIWIYEZAQGMJUTD-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 54.58
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

1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803162
N-ethyl-3-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 60996666
N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489185
1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
CID 43488978
N-ethyl-1-(3-iodophenyl)hexan-1-amine
CID 115837554
N-ethyl-3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-amine
CID 65444570
3-(4-methoxyphenyl)-N-methyl-1-(3-methylphenyl)propan-1-amine
CID 65444758
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-iodophenyl)ethanamine
CID 115829862
N-ethyl-1-(3-iodophenyl)hex-4-yn-1-amine
CID 105037510
1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105106501
1-(3-bromofuran-2-yl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
CID 115861589
1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 54919438

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of N-ethyl-1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-amine (CID 115864765) is N-ethyl-1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-amine is CCNC(CCc1ccc(OC)cc1)c1cccc(I)c1.
What is the InChIKey of N-ethyl-1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-amine?
The InChIKey is IWIYEZAQGMJUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22INO/c1-3-20-18(15-5-4-6-16(19)13-15)12-9-14-7-10-17(21-2)11-8-14/h4-8,10-11,13,18,20H,3,9,12H2,1-2H3.
What are the key properties of N-ethyl-1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-amine?
N-ethyl-1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-amine has a molecular weight of 395.28 g/mol, XLogP of 4.58, 7 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)-3-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 115864765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).