N-[[3-(difluoromethyl)phenyl]methyl]-2-iodoaniline

C14H12F2IN — CID 113328691

IUPACN-[[3-(difluoromethyl)phenyl]methyl]-2-iodoaniline
SMILESFC(F)c1cccc(CNc2ccccc2I)c1
InChIInChI=1S/C14H12F2IN/c15-14(16)11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)17/h1-8,14,18H,9H2
InChIKeyFSVQTEQRGVHQKY-UHFFFAOYSA-N
MW359.16 g/mol
LogP4.84
Rot. Bonds4

About N-[[3-(difluoromethyl)phenyl]methyl]-2-iodoaniline

N-[[3-(difluoromethyl)phenyl]methyl]-2-iodoaniline (PubChem CID 113328691) has the molecular formula C14H12F2IN and a molecular weight of 359.16 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]-2-iodoaniline.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]-2-iodoaniline
PubChem CID113328691
Molecular FormulaC14H12F2IN
Molecular Weight359.16 g/mol
Exact Mass359.00
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]-2-iodoaniline
SMILESFC(F)c1cccc(CNc2ccccc2I)c1
InChIInChI=1S/C14H12F2IN/c15-14(16)11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)17/h1-8,14,18H,9H2
InChIKeyFSVQTEQRGVHQKY-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.16
LogP ≤ 54.84
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-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline
CID 115525983
2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline
CID 115526003
1-N-[[3-(difluoromethyl)phenyl]methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115526242
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline
CID 115525992
2-[[3-(difluoromethyl)phenyl]methylamino]benzoic acid
CID 115526100
N-[[3-(difluoromethyl)phenyl]methyl]-2,4,5-trifluoroaniline
CID 115526484
5-bromo-N-[[3-(difluoromethyl)phenyl]methyl]-2-fluoroaniline
CID 115526124
3-[[3-(difluoromethyl)phenyl]methylamino]-2-methylbenzoic acid
CID 115526266
N-[[3-(difluoromethyl)phenyl]methyl]-2,6-dimethylpyridin-3-amine
CID 115526620
2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline
CID 107630813
4-[(2-iodoanilino)methyl]benzene-1,2-diol
CID 28978220
N-[(4-chloro-3-fluorophenyl)methyl]-2-iodoaniline
CID 63422009

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2-iodoaniline?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2-iodoaniline (CID 113328691) is N-[[3-(difluoromethyl)phenyl]methyl]-2-iodoaniline.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]-2-iodoaniline?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]-2-iodoaniline is FC(F)c1cccc(CNc2ccccc2I)c1.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]-2-iodoaniline?
The InChIKey is FSVQTEQRGVHQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2IN/c15-14(16)11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)17/h1-8,14,18H,9H2.
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]-2-iodoaniline?
N-[[3-(difluoromethyl)phenyl]methyl]-2-iodoaniline has a molecular weight of 359.16 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)phenyl]methyl]-2-iodoaniline is sourced from PubChem (CID 113328691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).