2-chloro-N-[1-(4-iodophenyl)ethyl]-5-methylaniline

C15H15ClIN — CID 107631198

IUPAC2-chloro-N-[1-(4-iodophenyl)ethyl]-5-methylaniline
SMILESCc1ccc(Cl)c(NC(C)c2ccc(I)cc2)c1
InChIInChI=1S/C15H15ClIN/c1-10-3-8-14(16)15(9-10)18-11(2)12-4-6-13(17)7-5-12/h3-9,11,18H,1-2H3
InChIKeyANXHWXOKNPODGA-UHFFFAOYSA-N
MW371.65 g/mol
LogP5.43
Rot. Bonds3

About 2-chloro-N-[1-(4-iodophenyl)ethyl]-5-methylaniline

2-chloro-N-[1-(4-iodophenyl)ethyl]-5-methylaniline (PubChem CID 107631198) has the molecular formula C15H15ClIN and a molecular weight of 371.65 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-iodophenyl)ethyl]-5-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[1-(4-iodophenyl)ethyl]-5-methylaniline
PubChem CID107631198
Molecular FormulaC15H15ClIN
Molecular Weight371.65 g/mol
Exact Mass370.99
IUPAC Name2-chloro-N-[1-(4-iodophenyl)ethyl]-5-methylaniline
SMILESCc1ccc(Cl)c(NC(C)c2ccc(I)cc2)c1
InChIInChI=1S/C15H15ClIN/c1-10-3-8-14(16)15(9-10)18-11(2)12-4-6-13(17)7-5-12/h3-9,11,18H,1-2H3
InChIKeyANXHWXOKNPODGA-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

4-[1-(2-chloro-5-methylanilino)ethyl]phenol
CID 107631148
N-[1-(4-tert-butylphenyl)ethyl]-2-chloro-5-methylaniline
CID 107630912
2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43788776
3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline
CID 43758590
2-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-iodoaniline
CID 43733695
N-[1-(4-iodophenyl)ethyl]-4-methyl-2-propoxyaniline
CID 63453295
3-[1-(2-chloro-5-methylanilino)ethyl]benzenesulfonamide
CID 103936671
2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-methylaniline
CID 107631068
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodo-2-methylaniline
CID 83069132
2-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-methylaniline
CID 107631308
2-chloro-N-[1-(2,4-difluorophenyl)ethyl]-5-methylaniline
CID 107631161
2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline
CID 83069214

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-iodophenyl)ethyl]-5-methylaniline?
The IUPAC name of 2-chloro-N-[1-(4-iodophenyl)ethyl]-5-methylaniline (CID 107631198) is 2-chloro-N-[1-(4-iodophenyl)ethyl]-5-methylaniline.
What is the SMILES notation for 2-chloro-N-[1-(4-iodophenyl)ethyl]-5-methylaniline?
The canonical SMILES for 2-chloro-N-[1-(4-iodophenyl)ethyl]-5-methylaniline is Cc1ccc(Cl)c(NC(C)c2ccc(I)cc2)c1.
What is the InChIKey of 2-chloro-N-[1-(4-iodophenyl)ethyl]-5-methylaniline?
The InChIKey is ANXHWXOKNPODGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClIN/c1-10-3-8-14(16)15(9-10)18-11(2)12-4-6-13(17)7-5-12/h3-9,11,18H,1-2H3.
What are the key properties of 2-chloro-N-[1-(4-iodophenyl)ethyl]-5-methylaniline?
2-chloro-N-[1-(4-iodophenyl)ethyl]-5-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 2-chloro-N-[1-(4-iodophenyl)ethyl]-5-methylaniline is sourced from PubChem (CID 107631198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).