2-[1-(4-iodophenyl)-1-phenylethoxy]-N,N-dimethylethanamine

C18H22INO — CID 24838112

IUPAC2-[1-(4-iodophenyl)-1-phenylethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC(C)(c1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C18H22INO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3
InChIKeyHPCDHEBNUWYCBX-UHFFFAOYSA-N
MW395.28 g/mol
LogP4.13
Rot. Bonds6

About 2-[1-(4-iodophenyl)-1-phenylethoxy]-N,N-dimethylethanamine

2-[1-(4-iodophenyl)-1-phenylethoxy]-N,N-dimethylethanamine (PubChem CID 24838112) has the molecular formula C18H22INO and a molecular weight of 395.28 g/mol. Its IUPAC name is 2-[1-(4-iodophenyl)-1-phenylethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-(4-iodophenyl)-1-phenylethoxy]-N,N-dimethylethanamine
PubChem CID24838112
Molecular FormulaC18H22INO
Molecular Weight395.28 g/mol
Exact Mass395.07
IUPAC Name2-[1-(4-iodophenyl)-1-phenylethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC(C)(c1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C18H22INO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3
InChIKeyHPCDHEBNUWYCBX-UHFFFAOYSA-N
XLogP4.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine;hydrochloride
CID 11223
tris(butanedioic acid);bis(N,N-dimethyl-2-(1-phenyl-1-pyridin-4-ylethoxy)ethanamine)
CID 163339088
butanedioate;butanedioic acid;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
CID 23617069
2-[1-(4-chlorophenyl)-1-phenylethoxy]-N-diphenoxyphosphoryl-N-methylethanamine
CID 91470329
2-(dimethylamino)ethyl 2-chloro-2,2-diphenylacetate;hydrochloride
CID 6451501
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
CID 67437784
2-[(1S)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl-dimethylazanium
CID 38988829
N-methyl-N-[2-(1-phenyl-1-pyridin-2-ylethoxy)ethyl]nitrous amide
CID 171390106
N,N-dimethyl-2-(1-pyridin-2-yl-1-thiophen-2-ylethoxy)ethanamine;hydrochloride
CID 3056387
2-[4-(1,2-diiodo-1,2-diphenylbutyl)phenoxy]-N,N-dimethylethanamine
CID 69003301
N,N-dimethyl-4-[4-(2-phenylpropan-2-yl)phenoxy]butan-1-amine;oxalic acid
CID 2934373
1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol
CID 62374488

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-iodophenyl)-1-phenylethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-(4-iodophenyl)-1-phenylethoxy]-N,N-dimethylethanamine (CID 24838112) is 2-[1-(4-iodophenyl)-1-phenylethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-(4-iodophenyl)-1-phenylethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-(4-iodophenyl)-1-phenylethoxy]-N,N-dimethylethanamine is CN(C)CCOC(C)(c1ccccc1)c1ccc(I)cc1.
What is the InChIKey of 2-[1-(4-iodophenyl)-1-phenylethoxy]-N,N-dimethylethanamine?
The InChIKey is HPCDHEBNUWYCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22INO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3.
What are the key properties of 2-[1-(4-iodophenyl)-1-phenylethoxy]-N,N-dimethylethanamine?
2-[1-(4-iodophenyl)-1-phenylethoxy]-N,N-dimethylethanamine has a molecular weight of 395.28 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-iodophenyl)-1-phenylethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 24838112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).