N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline

C14H12F2IN — CID 43124742

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline
SMILESCC(Nc1ccccc1I)c1ccc(F)c(F)c1
InChIInChI=1S/C14H12F2IN/c1-9(10-6-7-11(15)12(16)8-10)18-14-5-3-2-4-13(14)17/h2-9,18H,1H3
InChIKeyNXNJULGVSVFHQQ-UHFFFAOYSA-N
MW359.16 g/mol
LogP4.74
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline

N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline (PubChem CID 43124742) has the molecular formula C14H12F2IN and a molecular weight of 359.16 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline
PubChem CID43124742
Molecular FormulaC14H12F2IN
Molecular Weight359.16 g/mol
Exact Mass359.00
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline
SMILESCC(Nc1ccccc1I)c1ccc(F)c(F)c1
InChIInChI=1S/C14H12F2IN/c1-9(10-6-7-11(15)12(16)8-10)18-14-5-3-2-4-13(14)17/h2-9,18H,1H3
InChIKeyNXNJULGVSVFHQQ-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.16
LogP ≤ 54.74
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

N-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine
CID 43108042
N-[1-(3,4-difluorophenyl)ethyl]-2-propan-2-yloxyaniline
CID 43739215
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-iodoaniline
CID 82962732
2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 103477852
N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline
CID 43682271
N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline
CID 43124709
4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol
CID 43124744
2-iodo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
CID 43124751
4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline
CID 107632466
N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-3-nitroaniline
CID 43719632
2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 65468567
N-[3-[1-(2-iodoanilino)ethyl]phenyl]acetamide
CID 43124690

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline (CID 43124742) is N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline is CC(Nc1ccccc1I)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline?
The InChIKey is NXNJULGVSVFHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2IN/c1-9(10-6-7-11(15)12(16)8-10)18-14-5-3-2-4-13(14)17/h2-9,18H,1H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline?
N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline has a molecular weight of 359.16 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline is sourced from PubChem (CID 43124742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).