N-iodo-2-methoxy-2-phenylethanamine

C9H12INO — CID 175279844

IUPACN-iodo-2-methoxy-2-phenylethanamine
SMILESCOC(CNI)c1ccccc1
InChIInChI=1S/C9H12INO/c1-12-9(7-11-10)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3
InChIKeyKSOLCKGGWKRGMY-UHFFFAOYSA-N
MW277.11 g/mol
LogP2.31
Rot. Bonds4

About N-iodo-2-methoxy-2-phenylethanamine

N-iodo-2-methoxy-2-phenylethanamine (PubChem CID 175279844) has the molecular formula C9H12INO and a molecular weight of 277.11 g/mol. Its IUPAC name is N-iodo-2-methoxy-2-phenylethanamine.

Molecular Properties

Compound NameN-iodo-2-methoxy-2-phenylethanamine
PubChem CID175279844
Molecular FormulaC9H12INO
Molecular Weight277.11 g/mol
Exact Mass277.00
IUPAC NameN-iodo-2-methoxy-2-phenylethanamine
SMILESCOC(CNI)c1ccccc1
InChIInChI=1S/C9H12INO/c1-12-9(7-11-10)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3
InChIKeyKSOLCKGGWKRGMY-UHFFFAOYSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-methoxy-2-phenylethanamine
CID 55038164
2-[(2-methoxy-2-phenylethyl)amino]-1-phenylethanol
CID 110176855
(2R)-2-methoxy-2-phenylethanol
CID 6950345
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
2-methoxy-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine
CID 55038163
1,2-bis(2-methoxy-2-phenylethyl)benzene
CID 90884874
[(1S)-2-deuteriooxy-1-methoxyethyl]benzene
CID 140824843
[(1S)-2-ethoxy-1-methoxyethyl]benzene
CID 155459528
3-methoxy-3-phenylpropanoic acid
CID 13379217
1-(2-methoxy-2-phenylethyl)-2-methyl-3-(2-phenylpropyl)guanidine
CID 111342891
3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride
CID 119949370
N-(2-methoxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119703920

Frequently Asked Questions

What is the IUPAC name of N-iodo-2-methoxy-2-phenylethanamine?
The IUPAC name of N-iodo-2-methoxy-2-phenylethanamine (CID 175279844) is N-iodo-2-methoxy-2-phenylethanamine.
What is the SMILES notation for N-iodo-2-methoxy-2-phenylethanamine?
The canonical SMILES for N-iodo-2-methoxy-2-phenylethanamine is COC(CNI)c1ccccc1.
What is the InChIKey of N-iodo-2-methoxy-2-phenylethanamine?
The InChIKey is KSOLCKGGWKRGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12INO/c1-12-9(7-11-10)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3.
What are the key properties of N-iodo-2-methoxy-2-phenylethanamine?
N-iodo-2-methoxy-2-phenylethanamine has a molecular weight of 277.11 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-2-methoxy-2-phenylethanamine is sourced from PubChem (CID 175279844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).