2-chloro-4-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline

C12H15ClIN — CID 43733719

IUPAC2-chloro-4-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline
SMILESCC(Nc1ccc(I)cc1Cl)C1(C)CC1
InChIInChI=1S/C12H15ClIN/c1-8(12(2)5-6-12)15-11-4-3-9(14)7-10(11)13/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyNYGJMIYYBGDNKB-UHFFFAOYSA-N
MW335.62 g/mol
LogP4.55
Rot. Bonds3

About 2-chloro-4-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline

2-chloro-4-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline (PubChem CID 43733719) has the molecular formula C12H15ClIN and a molecular weight of 335.62 g/mol. Its IUPAC name is 2-chloro-4-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-4-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline
PubChem CID43733719
Molecular FormulaC12H15ClIN
Molecular Weight335.62 g/mol
Exact Mass334.99
IUPAC Name2-chloro-4-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline
SMILESCC(Nc1ccc(I)cc1Cl)C1(C)CC1
InChIInChI=1S/C12H15ClIN/c1-8(12(2)5-6-12)15-11-4-3-9(14)7-10(11)13/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyNYGJMIYYBGDNKB-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.62
LogP ≤ 54.55
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

4-iodo-2-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43717065
2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline
CID 43733742
2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43788776
2-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43173505
2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline
CID 43733550
2-chloro-4-iodo-N-pentan-2-ylaniline
CID 43733727
2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline
CID 83069214
2-chloro-4-iodo-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64631157
2-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-iodoaniline
CID 43733695
2-chloro-4-iodo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 63445713
2-[1-(2-chloro-4-iodoanilino)ethyl]-5-methoxyphenol
CID 43733549
2-chloro-4-iodo-N-(1-phenylbutan-2-yl)aniline
CID 79007429

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline?
The IUPAC name of 2-chloro-4-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline (CID 43733719) is 2-chloro-4-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline.
What is the SMILES notation for 2-chloro-4-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline?
The canonical SMILES for 2-chloro-4-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline is CC(Nc1ccc(I)cc1Cl)C1(C)CC1.
What is the InChIKey of 2-chloro-4-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline?
The InChIKey is NYGJMIYYBGDNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClIN/c1-8(12(2)5-6-12)15-11-4-3-9(14)7-10(11)13/h3-4,7-8,15H,5-6H2,1-2H3.
What are the key properties of 2-chloro-4-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline?
2-chloro-4-iodo-N-[1-(1-methylcyclopropyl)ethyl]aniline has a molecular weight of 335.62 g/mol, XLogP of 4.55, 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-[1-(1-methylcyclopropyl)ethyl]aniline is sourced from PubChem (CID 43733719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).