N-(iodomethyl)-N-phenylaniline

C13H12IN — CID 59863595

IUPACN-(iodomethyl)-N-phenylaniline
SMILESICN(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12IN/c14-11-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyJFNXUACPJYWANA-UHFFFAOYSA-N
MW309.15 g/mol
LogP4.22
Rot. Bonds3

About N-(iodomethyl)-N-phenylaniline

N-(iodomethyl)-N-phenylaniline (PubChem CID 59863595) has the molecular formula C13H12IN and a molecular weight of 309.15 g/mol. Its IUPAC name is N-(iodomethyl)-N-phenylaniline.

Molecular Properties

Compound NameN-(iodomethyl)-N-phenylaniline
PubChem CID59863595
Molecular FormulaC13H12IN
Molecular Weight309.15 g/mol
Exact Mass309.00
IUPAC NameN-(iodomethyl)-N-phenylaniline
SMILESICN(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12IN/c14-11-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyJFNXUACPJYWANA-UHFFFAOYSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-difluoroethyl)-N-phenylaniline
CID 10399080
4-[N-[2-(N-(4-hydroxyphenyl)anilino)ethyl]anilino]phenol
CID 58759192
lithium;hydride;N-phenyl-N-prop-2-enylaniline
CID 174146477
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
N-(2-iodoethyl)aniline
CID 11184197
N-(8-chlorooctyl)-N-phenylaniline
CID 10852868
[(2R)-2-hydroxy-3-(N-phenylanilino)propyl]azanium
CID 7337949
N-ethyl-N-(2-iodoethyl)aniline
CID 23460336
CID 102142484
CID 102142484
(N-methylanilino)phosphanium
CID 163691673
N-bromo-N-iodoaniline
CID 91511421
N,N-diphenylaniline;silane
CID 131739129

Frequently Asked Questions

What is the IUPAC name of N-(iodomethyl)-N-phenylaniline?
The IUPAC name of N-(iodomethyl)-N-phenylaniline (CID 59863595) is N-(iodomethyl)-N-phenylaniline.
What is the SMILES notation for N-(iodomethyl)-N-phenylaniline?
The canonical SMILES for N-(iodomethyl)-N-phenylaniline is ICN(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(iodomethyl)-N-phenylaniline?
The InChIKey is JFNXUACPJYWANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IN/c14-11-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of N-(iodomethyl)-N-phenylaniline?
N-(iodomethyl)-N-phenylaniline has a molecular weight of 309.15 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(iodomethyl)-N-phenylaniline is sourced from PubChem (CID 59863595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).