N-[(2,5-difluorophenyl)methyl]-4-iodo-2-methylaniline

C14H12F2IN — CID 43716958

IUPACN-[(2,5-difluorophenyl)methyl]-4-iodo-2-methylaniline
SMILESCc1cc(I)ccc1NCc1cc(F)ccc1F
InChIInChI=1S/C14H12F2IN/c1-9-6-12(17)3-5-14(9)18-8-10-7-11(15)2-4-13(10)16/h2-7,18H,8H2,1H3
InChIKeyUSEJZQYKACHGIP-UHFFFAOYSA-N
MW359.16 g/mol
LogP4.49
Rot. Bonds3

About N-[(2,5-difluorophenyl)methyl]-4-iodo-2-methylaniline

N-[(2,5-difluorophenyl)methyl]-4-iodo-2-methylaniline (PubChem CID 43716958) has the molecular formula C14H12F2IN and a molecular weight of 359.16 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-4-iodo-2-methylaniline.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-4-iodo-2-methylaniline
PubChem CID43716958
Molecular FormulaC14H12F2IN
Molecular Weight359.16 g/mol
Exact Mass359.00
IUPAC NameN-[(2,5-difluorophenyl)methyl]-4-iodo-2-methylaniline
SMILESCc1cc(I)ccc1NCc1cc(F)ccc1F
InChIInChI=1S/C14H12F2IN/c1-9-6-12(17)3-5-14(9)18-8-10-7-11(15)2-4-13(10)16/h2-7,18H,8H2,1H3
InChIKeyUSEJZQYKACHGIP-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
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-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline
CID 63440747
5-bromo-N-[(2,5-difluorophenyl)methyl]-4-fluoro-2-methylaniline
CID 107591672
4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 105370653
4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline
CID 79768402
4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-2-iodoaniline
CID 79768891
2-bromo-5-chloro-N-[(2,5-difluorophenyl)methyl]-4-methylaniline
CID 104722778
2-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline
CID 114259117
4-chloro-N-[(2,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 43312549
5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 103818107
4-fluoro-3-[(4-fluoro-2-iodoanilino)methyl]benzonitrile
CID 79768926
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline
CID 60960603
N-[(2,5-difluorophenyl)methyl]-1-ethyl-5-methylpyrazol-4-amine
CID 122168522

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-4-iodo-2-methylaniline?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-4-iodo-2-methylaniline (CID 43716958) is N-[(2,5-difluorophenyl)methyl]-4-iodo-2-methylaniline.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-4-iodo-2-methylaniline?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-4-iodo-2-methylaniline is Cc1cc(I)ccc1NCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-4-iodo-2-methylaniline?
The InChIKey is USEJZQYKACHGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2IN/c1-9-6-12(17)3-5-14(9)18-8-10-7-11(15)2-4-13(10)16/h2-7,18H,8H2,1H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-4-iodo-2-methylaniline?
N-[(2,5-difluorophenyl)methyl]-4-iodo-2-methylaniline has a molecular weight of 359.16 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-4-iodo-2-methylaniline is sourced from PubChem (CID 43716958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).