1-(3-chloro-4-methylphenyl)-N-iodomethanamine

C8H9ClIN — CID 143112650

IUPAC1-(3-chloro-4-methylphenyl)-N-iodomethanamine
SMILESCc1ccc(CNI)cc1Cl
InChIInChI=1S/C8H9ClIN/c1-6-2-3-7(5-11-10)4-8(6)9/h2-4,11H,5H2,1H3
InChIKeyZTGALUOABXECKO-UHFFFAOYSA-N
MW281.52 g/mol
LogP3.09
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-N-iodomethanamine

1-(3-chloro-4-methylphenyl)-N-iodomethanamine (PubChem CID 143112650) has the molecular formula C8H9ClIN and a molecular weight of 281.52 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-iodomethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-iodomethanamine
PubChem CID143112650
Molecular FormulaC8H9ClIN
Molecular Weight281.52 g/mol
Exact Mass280.95
IUPAC Name1-(3-chloro-4-methylphenyl)-N-iodomethanamine
SMILESCc1ccc(CNI)cc1Cl
InChIInChI=1S/C8H9ClIN/c1-6-2-3-7(5-11-10)4-8(6)9/h2-4,11H,5H2,1H3
InChIKeyZTGALUOABXECKO-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.52
LogP ≤ 53.09
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-(3,4-dichlorophenyl)-N-iodomethanamine
CID 126576131
N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine
CID 63195230
N-[(3-chloro-4-methylphenyl)methyl]prop-2-yn-1-amine
CID 106815995
N-[(3-chloro-4-methylphenyl)methyl]-2,4,6-trimethylaniline
CID 106816595
1-(4-bromophenyl)-N-[(3-chloro-4-methylphenyl)methyl]methanamine
CID 106816098
N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline
CID 106816096
2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane
CID 144609409
2-chloro-N-[(3-chloro-4-methylphenyl)methyl]-5-iodoaniline
CID 114258452
N-[(3-chloro-4-methylphenyl)methyl]pyrrol-1-amine
CID 106816921
N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine
CID 106816234
1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 106816878
N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 106816651

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-iodomethanamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-iodomethanamine (CID 143112650) is 1-(3-chloro-4-methylphenyl)-N-iodomethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-iodomethanamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-iodomethanamine is Cc1ccc(CNI)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-iodomethanamine?
The InChIKey is ZTGALUOABXECKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClIN/c1-6-2-3-7(5-11-10)4-8(6)9/h2-4,11H,5H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-iodomethanamine?
1-(3-chloro-4-methylphenyl)-N-iodomethanamine has a molecular weight of 281.52 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N-iodomethanamine is sourced from PubChem (CID 143112650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).