4-chloro-N-decyl-2-iodoaniline

C16H25ClIN — CID 107635321

IUPAC4-chloro-N-decyl-2-iodoaniline
SMILESCCCCCCCCCCNc1ccc(Cl)cc1I
InChIInChI=1S/C16H25ClIN/c1-2-3-4-5-6-7-8-9-12-19-16-11-10-14(17)13-15(16)18/h10-11,13,19H,2-9,12H2,1H3
InChIKeyMZASEBMMUFDYCZ-UHFFFAOYSA-N
MW393.74 g/mol
LogP6.50
Rot. Bonds10

About 4-chloro-N-decyl-2-iodoaniline

4-chloro-N-decyl-2-iodoaniline (PubChem CID 107635321) has the molecular formula C16H25ClIN and a molecular weight of 393.74 g/mol. Its IUPAC name is 4-chloro-N-decyl-2-iodoaniline.

Molecular Properties

Compound Name4-chloro-N-decyl-2-iodoaniline
PubChem CID107635321
Molecular FormulaC16H25ClIN
Molecular Weight393.74 g/mol
Exact Mass393.07
IUPAC Name4-chloro-N-decyl-2-iodoaniline
SMILESCCCCCCCCCCNc1ccc(Cl)cc1I
InChIInChI=1S/C16H25ClIN/c1-2-3-4-5-6-7-8-9-12-19-16-11-10-14(17)13-15(16)18/h10-11,13,19H,2-9,12H2,1H3
InChIKeyMZASEBMMUFDYCZ-UHFFFAOYSA-N
XLogP6.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.74
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-chloro-2-iodoaniline
CID 107632190
2,4-dichloro-N-decylaniline
CID 63489638
4-chloro-2-fluoro-N-heptylaniline
CID 43716552
2-bromo-4-chloro-N-octylaniline
CID 81263323
2-bromo-4-chloro-N-decylaniline
CID 81271334
2-chloro-4-iodo-N-octylaniline
CID 63445374
2-iodo-4-nitro-N-octylaniline
CID 115568882
methyl 5-chloro-2-(pentylamino)benzoate
CID 18803223
2,3,4-triiodo-N-pentylaniline
CID 173038518
4-chloro-2-(decylamino)benzonitrile
CID 64919418
3-(4-chloro-2-iodoanilino)propanenitrile
CID 107635283
2-chloro-N-decyl-4-methylaniline
CID 63489010

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-decyl-2-iodoaniline?
The IUPAC name of 4-chloro-N-decyl-2-iodoaniline (CID 107635321) is 4-chloro-N-decyl-2-iodoaniline.
What is the SMILES notation for 4-chloro-N-decyl-2-iodoaniline?
The canonical SMILES for 4-chloro-N-decyl-2-iodoaniline is CCCCCCCCCCNc1ccc(Cl)cc1I.
What is the InChIKey of 4-chloro-N-decyl-2-iodoaniline?
The InChIKey is MZASEBMMUFDYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClIN/c1-2-3-4-5-6-7-8-9-12-19-16-11-10-14(17)13-15(16)18/h10-11,13,19H,2-9,12H2,1H3.
What are the key properties of 4-chloro-N-decyl-2-iodoaniline?
4-chloro-N-decyl-2-iodoaniline has a molecular weight of 393.74 g/mol, XLogP of 6.50, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-decyl-2-iodoaniline is sourced from PubChem (CID 107635321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).