1-(3,4-dichlorophenyl)-N-iodomethanamine

C7H6Cl2IN — CID 126576131

IUPAC1-(3,4-dichlorophenyl)-N-iodomethanamine
SMILESClc1ccc(CNI)cc1Cl
InChIInChI=1S/C7H6Cl2IN/c8-6-2-1-5(4-11-10)3-7(6)9/h1-3,11H,4H2
InChIKeyDEHNLRMXSVPYII-UHFFFAOYSA-N
MW301.94 g/mol
LogP3.43
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-N-iodomethanamine

1-(3,4-dichlorophenyl)-N-iodomethanamine (PubChem CID 126576131) has the molecular formula C7H6Cl2IN and a molecular weight of 301.94 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-iodomethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-iodomethanamine
PubChem CID126576131
Molecular FormulaC7H6Cl2IN
Molecular Weight301.94 g/mol
Exact Mass300.89
IUPAC Name1-(3,4-dichlorophenyl)-N-iodomethanamine
SMILESClc1ccc(CNI)cc1Cl
InChIInChI=1S/C7H6Cl2IN/c8-6-2-1-5(4-11-10)3-7(6)9/h1-3,11H,4H2
InChIKeyDEHNLRMXSVPYII-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.94
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-iodomethanamine
CID 143112650
2-[(3,4-dichlorophenyl)methylamino]propane-1,3-diol
CID 65315014
2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 3460813
N'-[(3,4-dichlorophenyl)methyl]propane-1,3-diamine
CID 18353717
N-[(3,4-dichlorophenyl)methyl]-3-methylbutan-1-amine
CID 17206875
N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride
CID 17293997
2,6-dibromo-N-[(3,4-dichlorophenyl)methyl]aniline
CID 107597647
1-bromo-N-[(3,4-dichlorophenyl)methyl]propan-2-amine
CID 107859511
N-[(3,4-dichlorophenyl)methyl]-2,4,5-trifluoroaniline
CID 63476489
2,4,6-tribromo-N-[(3,4-dichlorophenyl)methyl]aniline
CID 63425740
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 5222337
6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine
CID 107845960

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-iodomethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-iodomethanamine (CID 126576131) is 1-(3,4-dichlorophenyl)-N-iodomethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-iodomethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-iodomethanamine is Clc1ccc(CNI)cc1Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-iodomethanamine?
The InChIKey is DEHNLRMXSVPYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2IN/c8-6-2-1-5(4-11-10)3-7(6)9/h1-3,11H,4H2.
What are the key properties of 1-(3,4-dichlorophenyl)-N-iodomethanamine?
1-(3,4-dichlorophenyl)-N-iodomethanamine has a molecular weight of 301.94 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-iodomethanamine is sourced from PubChem (CID 126576131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).