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

C11H15ClIN — CID 43733742

IUPAC2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H15ClIN/c1-7(2)8(3)14-11-5-4-9(13)6-10(11)12/h4-8,14H,1-3H3
InChIKeyPMERKWAGAJRHKT-UHFFFAOYSA-N
MW323.61 g/mol
LogP4.40
Rot. Bonds3

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

2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline (PubChem CID 43733742) has the molecular formula C11H15ClIN and a molecular weight of 323.61 g/mol. Its IUPAC name is 2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline
PubChem CID43733742
Molecular FormulaC11H15ClIN
Molecular Weight323.61 g/mol
Exact Mass322.99
IUPAC Name2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H15ClIN/c1-7(2)8(3)14-11-5-4-9(13)6-10(11)12/h4-8,14H,1-3H3
InChIKeyPMERKWAGAJRHKT-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.61
LogP ≤ 54.40
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-methylpentan-2-yl)aniline
CID 43733550
2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43788776
4-bromo-2-chloro-N-(3-methylbutan-2-yl)aniline
CID 43168155
2-chloro-4-iodo-N-pentan-2-ylaniline
CID 43733727
2-chloro-4-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43733719
3-chloro-4-(3-methylbutan-2-ylamino)benzonitrile
CID 55180669
2-chloro-4-iodo-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64631157
2-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-iodoaniline
CID 43733695
3-chloro-4-(3-methylbutan-2-ylamino)benzoic acid
CID 63088614
2-chloro-4-iodo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 63445713
2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline
CID 83069214
1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea
CID 47202224

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline?
The IUPAC name of 2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline (CID 43733742) is 2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline is CC(C)C(C)Nc1ccc(I)cc1Cl.
What is the InChIKey of 2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline?
The InChIKey is PMERKWAGAJRHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClIN/c1-7(2)8(3)14-11-5-4-9(13)6-10(11)12/h4-8,14H,1-3H3.
What are the key properties of 2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline?
2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline has a molecular weight of 323.61 g/mol, XLogP of 4.40, 3 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-methylbutan-2-yl)aniline is sourced from PubChem (CID 43733742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).