3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline

C15H15ClIN — CID 43758590

IUPAC3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline
SMILESCc1c(Cl)cccc1NC(C)c1ccc(I)cc1
InChIInChI=1S/C15H15ClIN/c1-10-14(16)4-3-5-15(10)18-11(2)12-6-8-13(17)9-7-12/h3-9,11,18H,1-2H3
InChIKeyNKPPEQLPLARGIL-UHFFFAOYSA-N
MW371.65 g/mol
LogP5.43
Rot. Bonds3

About 3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline

3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline (PubChem CID 43758590) has the molecular formula C15H15ClIN and a molecular weight of 371.65 g/mol. Its IUPAC name is 3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline
PubChem CID43758590
Molecular FormulaC15H15ClIN
Molecular Weight371.65 g/mol
Exact Mass370.99
IUPAC Name3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline
SMILESCc1c(Cl)cccc1NC(C)c1ccc(I)cc1
InChIInChI=1S/C15H15ClIN/c1-10-14(16)4-3-5-15(10)18-11(2)12-6-8-13(17)9-7-12/h3-9,11,18H,1-2H3
InChIKeyNKPPEQLPLARGIL-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.65
LogP ≤ 55.43
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-[1-(4-iodophenyl)ethyl]aniline
CID 43788776
2-chloro-N-[1-(4-iodophenyl)ethyl]-5-methylaniline
CID 107631198
methyl 3-[1-(4-iodophenyl)ethylamino]-2-methylbenzoate
CID 43784580
3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43096271
5-[1-(4-iodophenyl)ethylamino]naphthalen-1-ol
CID 43790452
2-tert-butyl-N-[1-(4-iodophenyl)ethyl]aniline
CID 43780792
3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline
CID 43095344
N-[1-(4-iodophenyl)ethyl]-2-methoxyaniline
CID 43757793
N-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 43758444
3-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43085619
2-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-iodoaniline
CID 43733695
N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-2-methylaniline
CID 113437440

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline?
The IUPAC name of 3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline (CID 43758590) is 3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline.
What is the SMILES notation for 3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline?
The canonical SMILES for 3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline is Cc1c(Cl)cccc1NC(C)c1ccc(I)cc1.
What is the InChIKey of 3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline?
The InChIKey is NKPPEQLPLARGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClIN/c1-10-14(16)4-3-5-15(10)18-11(2)12-6-8-13(17)9-7-12/h3-9,11,18H,1-2H3.
What are the key properties of 3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline?
3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline has a molecular weight of 371.65 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline is sourced from PubChem (CID 43758590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).