N-butyl-4-chloro-2-iodoaniline

C10H13ClIN — CID 107632190

IUPACN-butyl-4-chloro-2-iodoaniline
SMILESCCCCNc1ccc(Cl)cc1I
InChIInChI=1S/C10H13ClIN/c1-2-3-6-13-10-5-4-8(11)7-9(10)12/h4-5,7,13H,2-3,6H2,1H3
InChIKeyFKWSEFWLGSTEGL-UHFFFAOYSA-N
MW309.58 g/mol
LogP4.16
Rot. Bonds4

About N-butyl-4-chloro-2-iodoaniline

N-butyl-4-chloro-2-iodoaniline (PubChem CID 107632190) has the molecular formula C10H13ClIN and a molecular weight of 309.58 g/mol. Its IUPAC name is N-butyl-4-chloro-2-iodoaniline.

Molecular Properties

Compound NameN-butyl-4-chloro-2-iodoaniline
PubChem CID107632190
Molecular FormulaC10H13ClIN
Molecular Weight309.58 g/mol
Exact Mass308.98
IUPAC NameN-butyl-4-chloro-2-iodoaniline
SMILESCCCCNc1ccc(Cl)cc1I
InChIInChI=1S/C10H13ClIN/c1-2-3-6-13-10-5-4-8(11)7-9(10)12/h4-5,7,13H,2-3,6H2,1H3
InChIKeyFKWSEFWLGSTEGL-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.58
LogP ≤ 54.16
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

4-chloro-N-decyl-2-iodoaniline
CID 107635321
N-butyl-2-chloro-4-iodoaniline
CID 43733829
2,4-dichloro-N-decylaniline
CID 63489638
3-(4-chloro-2-iodoanilino)propanenitrile
CID 107635283
4-chloro-2-fluoro-N-heptylaniline
CID 43716552
tert-butyl N-[3-(4-chloro-2-iodoanilino)propyl]carbamate
CID 107632277
5-(4-chloro-2-iodoanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 107635920
2-bromo-4-chloro-N-octylaniline
CID 81263323
2-bromo-4-chloro-N-decylaniline
CID 81271334
ethyl 3-(4-chloro-2-iodoanilino)propanoate
CID 107634917
N-[(E)-but-2-enyl]-4-chloro-2-iodoaniline
CID 107899368
4-chloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 107634893

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-2-iodoaniline?
The IUPAC name of N-butyl-4-chloro-2-iodoaniline (CID 107632190) is N-butyl-4-chloro-2-iodoaniline.
What is the SMILES notation for N-butyl-4-chloro-2-iodoaniline?
The canonical SMILES for N-butyl-4-chloro-2-iodoaniline is CCCCNc1ccc(Cl)cc1I.
What is the InChIKey of N-butyl-4-chloro-2-iodoaniline?
The InChIKey is FKWSEFWLGSTEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClIN/c1-2-3-6-13-10-5-4-8(11)7-9(10)12/h4-5,7,13H,2-3,6H2,1H3.
What are the key properties of N-butyl-4-chloro-2-iodoaniline?
N-butyl-4-chloro-2-iodoaniline has a molecular weight of 309.58 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-2-iodoaniline is sourced from PubChem (CID 107632190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).