1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine

C16H17BrINO2 — CID 43485031

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(I)c1)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C16H17BrINO2/c1-19-16(10-5-4-6-11(18)7-10)12-8-14(20-2)15(21-3)9-13(12)17/h4-9,16,19H,1-3H3
InChIKeyIPLZVQUIAMRUSC-UHFFFAOYSA-N
MW462.13 g/mol
LogP4.38
Rot. Bonds5

About 1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine

1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine (PubChem CID 43485031) has the molecular formula C16H17BrINO2 and a molecular weight of 462.13 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
PubChem CID43485031
Molecular FormulaC16H17BrINO2
Molecular Weight462.13 g/mol
Exact Mass460.95
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(I)c1)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C16H17BrINO2/c1-19-16(10-5-4-6-11(18)7-10)12-8-14(20-2)15(21-3)9-13(12)17/h4-9,16,19H,1-3H3
InChIKeyIPLZVQUIAMRUSC-UHFFFAOYSA-N
XLogP4.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.13
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43485032
1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 43485047
1-(2,4-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43483638
1-(5-chloro-2-methoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 104545912
(4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol
CID 105057022
1-(5-bromo-2-ethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43487317
1-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 107515336
1-(2,3-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 115850509
N-[(2-bromo-4,5-dimethoxyphenyl)-phenylmethyl]ethanamine
CID 43491687
1-(2-bromo-4,5-dimethoxyphenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106851573
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 65438567
1-(2,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43483766

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine (CID 43485031) is 1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine is CNC(c1cccc(I)c1)c1cc(OC)c(OC)cc1Br.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The InChIKey is IPLZVQUIAMRUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrINO2/c1-19-16(10-5-4-6-11(18)7-10)12-8-14(20-2)15(21-3)9-13(12)17/h4-9,16,19H,1-3H3.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine has a molecular weight of 462.13 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine is sourced from PubChem (CID 43485031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).