2-(4-chloro-2-iodophenyl)-3-[3-(iodomethyl)-2-pyridinyl]-N-methylpropan-1-amine

C16H17ClI2N2 — CID 165410548

IUPAC2-(4-chloro-2-iodophenyl)-3-[3-(iodomethyl)-2-pyridinyl]-N-methylpropan-1-amine
SMILESCNCC(Cc1ncccc1CI)c1ccc(Cl)cc1I
InChIInChI=1S/C16H17ClI2N2/c1-20-10-12(14-5-4-13(17)8-15(14)19)7-16-11(9-18)3-2-6-21-16/h2-6,8,12,20H,7,9-10H2,1H3
InChIKeyPFNLWOQZZJRBKX-UHFFFAOYSA-N
MW526.59 g/mol
LogP4.82
Rot. Bonds6

About 2-(4-chloro-2-iodophenyl)-3-[3-(iodomethyl)-2-pyridinyl]-N-methylpropan-1-amine

2-(4-chloro-2-iodophenyl)-3-[3-(iodomethyl)-2-pyridinyl]-N-methylpropan-1-amine (PubChem CID 165410548) has the molecular formula C16H17ClI2N2 and a molecular weight of 526.59 g/mol. Its IUPAC name is 2-(4-chloro-2-iodophenyl)-3-[3-(iodomethyl)-2-pyridinyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-2-iodophenyl)-3-[3-(iodomethyl)-2-pyridinyl]-N-methylpropan-1-amine
PubChem CID165410548
Molecular FormulaC16H17ClI2N2
Molecular Weight526.59 g/mol
Exact Mass525.92
IUPAC Name2-(4-chloro-2-iodophenyl)-3-[3-(iodomethyl)-2-pyridinyl]-N-methylpropan-1-amine
SMILESCNCC(Cc1ncccc1CI)c1ccc(Cl)cc1I
InChIInChI=1S/C16H17ClI2N2/c1-20-10-12(14-5-4-13(17)8-15(14)19)7-16-11(9-18)3-2-6-21-16/h2-6,8,12,20H,7,9-10H2,1H3
InChIKeyPFNLWOQZZJRBKX-UHFFFAOYSA-N
XLogP4.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.59
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-chloro-2-methylphenyl)-3-(3-ethyl-2-pyridinyl)-N-methylpropan-1-amine
CID 167169233
(2R)-2-(5-chloro-2-methylphenyl)-N-methyl-3-(3-methyl-2-pyridinyl)propan-1-amine
CID 165410342
2-[2-(5-chloro-2-methylphenyl)ethyl]-3-methylpyridine;N-methylethanamine
CID 165410059
2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 114858886
2-(3-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79443251
N-methyl-2-phenyl-3-quinolin-8-ylpropan-1-amine
CID 81228441
3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 103049752
3-(3-chloro-4-pyridinyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439464
3-(4-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 81024440
2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine
CID 79442168
2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine
CID 107995639
1-[5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]phenyl]-N-methylmethanamine
CID 114864925

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-iodophenyl)-3-[3-(iodomethyl)-2-pyridinyl]-N-methylpropan-1-amine?
The IUPAC name of 2-(4-chloro-2-iodophenyl)-3-[3-(iodomethyl)-2-pyridinyl]-N-methylpropan-1-amine (CID 165410548) is 2-(4-chloro-2-iodophenyl)-3-[3-(iodomethyl)-2-pyridinyl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-(4-chloro-2-iodophenyl)-3-[3-(iodomethyl)-2-pyridinyl]-N-methylpropan-1-amine?
The canonical SMILES for 2-(4-chloro-2-iodophenyl)-3-[3-(iodomethyl)-2-pyridinyl]-N-methylpropan-1-amine is CNCC(Cc1ncccc1CI)c1ccc(Cl)cc1I.
What is the InChIKey of 2-(4-chloro-2-iodophenyl)-3-[3-(iodomethyl)-2-pyridinyl]-N-methylpropan-1-amine?
The InChIKey is PFNLWOQZZJRBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClI2N2/c1-20-10-12(14-5-4-13(17)8-15(14)19)7-16-11(9-18)3-2-6-21-16/h2-6,8,12,20H,7,9-10H2,1H3.
What are the key properties of 2-(4-chloro-2-iodophenyl)-3-[3-(iodomethyl)-2-pyridinyl]-N-methylpropan-1-amine?
2-(4-chloro-2-iodophenyl)-3-[3-(iodomethyl)-2-pyridinyl]-N-methylpropan-1-amine has a molecular weight of 526.59 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-iodophenyl)-3-[3-(iodomethyl)-2-pyridinyl]-N-methylpropan-1-amine is sourced from PubChem (CID 165410548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).