1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine

C15H16INO — CID 65499941

IUPAC1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2ccc(I)cc2)cc1
InChIInChI=1S/C15H16INO/c1-17-10-12-4-8-15(9-5-12)18-11-13-2-6-14(16)7-3-13/h2-9,17H,10-11H2,1H3
InChIKeyPRLZASKZGNTZNX-UHFFFAOYSA-N
MW353.20 g/mol
LogP3.59
Rot. Bonds5

About 1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine

1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 65499941) has the molecular formula C15H16INO and a molecular weight of 353.20 g/mol. Its IUPAC name is 1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID65499941
Molecular FormulaC15H16INO
Molecular Weight353.20 g/mol
Exact Mass353.03
IUPAC Name1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2ccc(I)cc2)cc1
InChIInChI=1S/C15H16INO/c1-17-10-12-4-8-15(9-5-12)18-11-13-2-6-14(16)7-3-13/h2-9,17H,10-11H2,1H3
InChIKeyPRLZASKZGNTZNX-UHFFFAOYSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 53.59
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

N-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine
CID 65499942
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6458719
4-[(4-iodophenoxy)methyl]benzonitrile
CID 7694615
methyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate
CID 60880616
N-methyl-1-[4-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62698762
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880082
4-[(4-iodophenyl)methoxy]benzaldehyde
CID 882484
1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 82727211
1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 63497021
4-[(4-iodophenyl)methoxy]-2-methylaniline
CID 65498774
[4-[(4-iodophenyl)methoxy]phenyl]-bis(4-methylphenyl)sulfanium
CID 165155230
1-[(4-iodophenyl)methoxy]-3,5-dimethoxybenzene
CID 65490326

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine (CID 65499941) is 1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine is CNCc1ccc(OCc2ccc(I)cc2)cc1.
What is the InChIKey of 1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is PRLZASKZGNTZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO/c1-17-10-12-4-8-15(9-5-12)18-11-13-2-6-14(16)7-3-13/h2-9,17H,10-11H2,1H3.
What are the key properties of 1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine?
1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 353.20 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-iodophenyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 65499941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).