2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine

C17H19ClINO — CID 115844893

IUPAC2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1OC)c1ccc(I)cc1
InChIInChI=1S/C17H19ClINO/c1-3-20-16(12-4-7-15(19)8-5-12)11-13-10-14(18)6-9-17(13)21-2/h4-10,16,20H,3,11H2,1-2H3
InChIKeyYGKIBBNPKSHCGM-UHFFFAOYSA-N
MW415.70 g/mol
LogP4.85
Rot. Bonds6

About 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine

2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine (PubChem CID 115844893) has the molecular formula C17H19ClINO and a molecular weight of 415.70 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
PubChem CID115844893
Molecular FormulaC17H19ClINO
Molecular Weight415.70 g/mol
Exact Mass415.02
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1OC)c1ccc(I)cc1
InChIInChI=1S/C17H19ClINO/c1-3-20-16(12-4-7-15(19)8-5-12)11-13-10-14(18)6-9-17(13)21-2/h4-10,16,20H,3,11H2,1-2H3
InChIKeyYGKIBBNPKSHCGM-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.70
LogP ≤ 54.85
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-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414164
2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115839956
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923380
2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115844898
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115844980
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 102622580
2-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103405686
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62601354
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 114855165
N-ethyl-1-(3-iodophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826666
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105137382
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530726

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine (CID 115844893) is 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine is CCNC(Cc1cc(Cl)ccc1OC)c1ccc(I)cc1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine?
The InChIKey is YGKIBBNPKSHCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClINO/c1-3-20-16(12-4-7-15(19)8-5-12)11-13-10-14(18)6-9-17(13)21-2/h4-10,16,20H,3,11H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine?
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine has a molecular weight of 415.70 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-iodophenyl)ethanamine is sourced from PubChem (CID 115844893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).