1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine

C15H15ClINO — CID 104545912

IUPAC1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(I)c1)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H15ClINO/c1-18-15(10-4-3-5-12(17)8-10)13-9-11(16)6-7-14(13)19-2/h3-9,15,18H,1-2H3
InChIKeyOQGCMFAKSRCVRB-UHFFFAOYSA-N
MW387.65 g/mol
LogP4.26
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine

1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine (PubChem CID 104545912) has the molecular formula C15H15ClINO and a molecular weight of 387.65 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
PubChem CID104545912
Molecular FormulaC15H15ClINO
Molecular Weight387.65 g/mol
Exact Mass386.99
IUPAC Name1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(I)c1)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H15ClINO/c1-18-15(10-4-3-5-12(17)8-10)13-9-11(16)6-7-14(13)19-2/h3-9,15,18H,1-2H3
InChIKeyOQGCMFAKSRCVRB-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.65
LogP ≤ 54.26
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

1-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481413
1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 104545899
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 62789375
1-(5-chloro-2-methoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481650
1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43485031
1-(2,4-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43483638
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 62791195
1-(2-chloro-4,5-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 107476154
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 62791218
1-(5-bromothiophen-3-yl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 105141025
1-(3-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 43626747
1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 43480965

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine (CID 104545912) is 1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine is CNC(c1cccc(I)c1)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The InChIKey is OQGCMFAKSRCVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClINO/c1-18-15(10-4-3-5-12(17)8-10)13-9-11(16)6-7-14(13)19-2/h3-9,15,18H,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine has a molecular weight of 387.65 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine is sourced from PubChem (CID 104545912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).