2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline

C12H17ClIN — CID 43733550

IUPAC2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline
SMILESCCC(C)C(C)Nc1ccc(I)cc1Cl
InChIInChI=1S/C12H17ClIN/c1-4-8(2)9(3)15-12-6-5-10(14)7-11(12)13/h5-9,15H,4H2,1-3H3
InChIKeyFRZAXDGRKRAXSC-UHFFFAOYSA-N
MW337.63 g/mol
LogP4.79
Rot. Bonds4

About 2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline

2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline (PubChem CID 43733550) has the molecular formula C12H17ClIN and a molecular weight of 337.63 g/mol. Its IUPAC name is 2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline
PubChem CID43733550
Molecular FormulaC12H17ClIN
Molecular Weight337.63 g/mol
Exact Mass337.01
IUPAC Name2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline
SMILESCCC(C)C(C)Nc1ccc(I)cc1Cl
InChIInChI=1S/C12H17ClIN/c1-4-8(2)9(3)15-12-6-5-10(14)7-11(12)13/h5-9,15H,4H2,1-3H3
InChIKeyFRZAXDGRKRAXSC-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.63
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline
CID 43733742
2-chloro-4-iodo-N-pentan-2-ylaniline
CID 43733727
4-iodo-N-(3-methylpentan-2-yl)-2-nitroaniline
CID 66065681
2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43788776
2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline
CID 104726239
2-chloro-4-iodo-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64631157
2-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-iodoaniline
CID 63445541
2-chloro-4-iodo-N-(1-phenylbutan-2-yl)aniline
CID 79007429
2-chloro-4-iodo-N-(3-methoxy-2-methylpropyl)aniline
CID 116501073
2-chloro-4-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43733719
3-(2-chloro-4-iodoanilino)-N'-hydroxypentanimidamide
CID 107607002
4-chloro-N-(3-methylpentan-2-yl)-2-(trifluoromethyl)aniline
CID 43105999

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline?
The IUPAC name of 2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline (CID 43733550) is 2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline.
What is the SMILES notation for 2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline?
The canonical SMILES for 2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline is CCC(C)C(C)Nc1ccc(I)cc1Cl.
What is the InChIKey of 2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline?
The InChIKey is FRZAXDGRKRAXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClIN/c1-4-8(2)9(3)15-12-6-5-10(14)7-11(12)13/h5-9,15H,4H2,1-3H3.
What are the key properties of 2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline?
2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline has a molecular weight of 337.63 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline is sourced from PubChem (CID 43733550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).