4-[[4-[(E)-2-iodoethenyl]phenyl]methyl]morpholine

C13H16INO — CID 59417267

IUPAC4-[[4-[(E)-2-iodoethenyl]phenyl]methyl]morpholine
SMILESI/C=C/c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C13H16INO/c14-6-5-12-1-3-13(4-2-12)11-15-7-9-16-10-8-15/h1-6H,7-11H2/b6-5+
InChIKeyDZSOMXGRUSSCJA-AATRIKPKSA-N
MW329.18 g/mol
LogP2.92
Rot. Bonds3

About 4-[[4-[(E)-2-iodoethenyl]phenyl]methyl]morpholine

4-[[4-[(E)-2-iodoethenyl]phenyl]methyl]morpholine (PubChem CID 59417267) has the molecular formula C13H16INO and a molecular weight of 329.18 g/mol. Its IUPAC name is 4-[[4-[(E)-2-iodoethenyl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[(E)-2-iodoethenyl]phenyl]methyl]morpholine
PubChem CID59417267
Molecular FormulaC13H16INO
Molecular Weight329.18 g/mol
Exact Mass329.03
IUPAC Name4-[[4-[(E)-2-iodoethenyl]phenyl]methyl]morpholine
SMILESI/C=C/c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C13H16INO/c14-6-5-12-1-3-13(4-2-12)11-15-7-9-16-10-8-15/h1-6H,7-11H2/b6-5+
InChIKeyDZSOMXGRUSSCJA-AATRIKPKSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 52.92
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

4-[[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methyl]morpholine
CID 118714433
ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate
CID 89048082
4-[[4-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)ethenyl]phenyl]methyl]morpholine
CID 90962291
4-[[4-[(Z)-2-bromo-2-fluoroethenyl]phenyl]methyl]morpholine
CID 87465392
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560
3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 1493876
4-[(Z)-4-[4-(morpholin-4-ylmethyl)phenyl]but-3-en-1-ynyl]benzoic acid
CID 59417436
2-[4-(morpholin-4-ylmethyl)phenyl]propan-2-amine
CID 82026958
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide
CID 950916
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
CID 59303659
CID 59303659

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(E)-2-iodoethenyl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[(E)-2-iodoethenyl]phenyl]methyl]morpholine (CID 59417267) is 4-[[4-[(E)-2-iodoethenyl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[(E)-2-iodoethenyl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[(E)-2-iodoethenyl]phenyl]methyl]morpholine is I/C=C/c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-[[4-[(E)-2-iodoethenyl]phenyl]methyl]morpholine?
The InChIKey is DZSOMXGRUSSCJA-AATRIKPKSA-N. The full InChI is InChI=1S/C13H16INO/c14-6-5-12-1-3-13(4-2-12)11-15-7-9-16-10-8-15/h1-6H,7-11H2/b6-5+.
What are the key properties of 4-[[4-[(E)-2-iodoethenyl]phenyl]methyl]morpholine?
4-[[4-[(E)-2-iodoethenyl]phenyl]methyl]morpholine has a molecular weight of 329.18 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(E)-2-iodoethenyl]phenyl]methyl]morpholine is sourced from PubChem (CID 59417267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).