2-chloro-4-iodo-N-(3-methoxy-2-methylpropyl)aniline

C11H15ClINO — CID 116501073

IUPAC2-chloro-4-iodo-N-(3-methoxy-2-methylpropyl)aniline
SMILESCOCC(C)CNc1ccc(I)cc1Cl
InChIInChI=1S/C11H15ClINO/c1-8(7-15-2)6-14-11-4-3-9(13)5-10(11)12/h3-5,8,14H,6-7H2,1-2H3
InChIKeyYWGATCXBIPXXIK-UHFFFAOYSA-N
MW339.60 g/mol
LogP3.64
Rot. Bonds5

About 2-chloro-4-iodo-N-(3-methoxy-2-methylpropyl)aniline

2-chloro-4-iodo-N-(3-methoxy-2-methylpropyl)aniline (PubChem CID 116501073) has the molecular formula C11H15ClINO and a molecular weight of 339.60 g/mol. Its IUPAC name is 2-chloro-4-iodo-N-(3-methoxy-2-methylpropyl)aniline.

Molecular Properties

Compound Name2-chloro-4-iodo-N-(3-methoxy-2-methylpropyl)aniline
PubChem CID116501073
Molecular FormulaC11H15ClINO
Molecular Weight339.60 g/mol
Exact Mass338.99
IUPAC Name2-chloro-4-iodo-N-(3-methoxy-2-methylpropyl)aniline
SMILESCOCC(C)CNc1ccc(I)cc1Cl
InChIInChI=1S/C11H15ClINO/c1-8(7-15-2)6-14-11-4-3-9(13)5-10(11)12/h3-5,8,14H,6-7H2,1-2H3
InChIKeyYWGATCXBIPXXIK-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.60
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-methoxy-2-methylpropyl)-4-methylaniline
CID 116500841
4-chloro-N-(3-methoxy-2-methylpropyl)-2-methylaniline
CID 116500771
3-iodo-N-(3-methoxy-2-methylpropyl)aniline
CID 116500847
2-(2-chloro-4-iodoanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 107606651
2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline
CID 43733550
2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline
CID 43733742
1-(2-chloro-4-iodoanilino)-2,3-dimethylbutan-2-ol
CID 107606330
4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline
CID 116501292
1-(2-chloro-4-iodoanilino)-3-(4-chlorophenoxy)propan-2-ol
CID 107606298
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-iodoaniline
CID 43733612
2-chloro-N-(3-ethoxypropyl)-4-iodoaniline
CID 107606523
2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol
CID 107678691

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-N-(3-methoxy-2-methylpropyl)aniline?
The IUPAC name of 2-chloro-4-iodo-N-(3-methoxy-2-methylpropyl)aniline (CID 116501073) is 2-chloro-4-iodo-N-(3-methoxy-2-methylpropyl)aniline.
What is the SMILES notation for 2-chloro-4-iodo-N-(3-methoxy-2-methylpropyl)aniline?
The canonical SMILES for 2-chloro-4-iodo-N-(3-methoxy-2-methylpropyl)aniline is COCC(C)CNc1ccc(I)cc1Cl.
What is the InChIKey of 2-chloro-4-iodo-N-(3-methoxy-2-methylpropyl)aniline?
The InChIKey is YWGATCXBIPXXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClINO/c1-8(7-15-2)6-14-11-4-3-9(13)5-10(11)12/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of 2-chloro-4-iodo-N-(3-methoxy-2-methylpropyl)aniline?
2-chloro-4-iodo-N-(3-methoxy-2-methylpropyl)aniline has a molecular weight of 339.60 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-N-(3-methoxy-2-methylpropyl)aniline is sourced from PubChem (CID 116501073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).