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

C15H14ClFIN — CID 83069132

IUPACN-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodo-2-methylaniline
SMILESCc1cc(I)ccc1NC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H14ClFIN/c1-9-7-12(18)4-6-15(9)19-10(2)11-3-5-13(16)14(17)8-11/h3-8,10,19H,1-2H3
InChIKeyHLQYRQNUEFOBJB-UHFFFAOYSA-N
MW389.64 g/mol
LogP5.57
Rot. Bonds3

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

N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodo-2-methylaniline (PubChem CID 83069132) has the molecular formula C15H14ClFIN and a molecular weight of 389.64 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodo-2-methylaniline.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodo-2-methylaniline
PubChem CID83069132
Molecular FormulaC15H14ClFIN
Molecular Weight389.64 g/mol
Exact Mass388.98
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodo-2-methylaniline
SMILESCc1cc(I)ccc1NC(C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H14ClFIN/c1-9-7-12(18)4-6-15(9)19-10(2)11-3-5-13(16)14(17)8-11/h3-8,10,19H,1-2H3
InChIKeyHLQYRQNUEFOBJB-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.64
LogP ≤ 55.57
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-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline
CID 83069214
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 83069686
2-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-iodoaniline
CID 43733695
2-bromo-N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-methylaniline
CID 83069708
N-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline
CID 43717020
2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43788776
4-bromo-N-[1-(4-chloro-3-fluorophenyl)ethyl]-3,5-dimethylaniline
CID 107571978
4-iodo-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43717037
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83057829
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-iodo-2-methylaniline
CID 43785212
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline
CID 83069311
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline
CID 83069531

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodo-2-methylaniline?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodo-2-methylaniline (CID 83069132) is N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodo-2-methylaniline.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodo-2-methylaniline?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodo-2-methylaniline is Cc1cc(I)ccc1NC(C)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodo-2-methylaniline?
The InChIKey is HLQYRQNUEFOBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFIN/c1-9-7-12(18)4-6-15(9)19-10(2)11-3-5-13(16)14(17)8-11/h3-8,10,19H,1-2H3.
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodo-2-methylaniline?
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodo-2-methylaniline has a molecular weight of 389.64 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodo-2-methylaniline is sourced from PubChem (CID 83069132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).