N-[(4-iodophenyl)methyl]-4-methylaniline

C14H14IN — CID 60674684

IUPACN-[(4-iodophenyl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2ccc(I)cc2)cc1
InChIInChI=1S/C14H14IN/c1-11-2-8-14(9-3-11)16-10-12-4-6-13(15)7-5-12/h2-9,16H,10H2,1H3
InChIKeyNFMKTUWCOYLWBB-UHFFFAOYSA-N
MW323.18 g/mol
LogP4.21
Rot. Bonds3

About N-[(4-iodophenyl)methyl]-4-methylaniline

N-[(4-iodophenyl)methyl]-4-methylaniline (PubChem CID 60674684) has the molecular formula C14H14IN and a molecular weight of 323.18 g/mol. Its IUPAC name is N-[(4-iodophenyl)methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[(4-iodophenyl)methyl]-4-methylaniline
PubChem CID60674684
Molecular FormulaC14H14IN
Molecular Weight323.18 g/mol
Exact Mass323.02
IUPAC NameN-[(4-iodophenyl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2ccc(I)cc2)cc1
InChIInChI=1S/C14H14IN/c1-11-2-8-14(9-3-11)16-10-12-4-6-13(15)7-5-12/h2-9,16H,10H2,1H3
InChIKeyNFMKTUWCOYLWBB-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 54.21
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

4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
3-iodo-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 43230338
4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline
CID 65479215
4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline;hydrochloride
CID 155819299
4-[(4-methylphenyl)methylamino]benzaldehyde
CID 89270360
4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982191
N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide
CID 112982187
N-[(4-butoxyphenyl)methyl]-4-iodoaniline
CID 28975640
1-iodo-4-[2-(4-methylphenyl)ethyl]benzene
CID 118487182
N-methyl-2-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 43713951
4-methyl-N-[(4-nitrophenyl)methyl]aniline
CID 1132994
4-iodo-N-[(4-pentoxyphenyl)methyl]aniline
CID 28975665

Frequently Asked Questions

What is the IUPAC name of N-[(4-iodophenyl)methyl]-4-methylaniline?
The IUPAC name of N-[(4-iodophenyl)methyl]-4-methylaniline (CID 60674684) is N-[(4-iodophenyl)methyl]-4-methylaniline.
What is the SMILES notation for N-[(4-iodophenyl)methyl]-4-methylaniline?
The canonical SMILES for N-[(4-iodophenyl)methyl]-4-methylaniline is Cc1ccc(NCc2ccc(I)cc2)cc1.
What is the InChIKey of N-[(4-iodophenyl)methyl]-4-methylaniline?
The InChIKey is NFMKTUWCOYLWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IN/c1-11-2-8-14(9-3-11)16-10-12-4-6-13(15)7-5-12/h2-9,16H,10H2,1H3.
What are the key properties of N-[(4-iodophenyl)methyl]-4-methylaniline?
N-[(4-iodophenyl)methyl]-4-methylaniline has a molecular weight of 323.18 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodophenyl)methyl]-4-methylaniline is sourced from PubChem (CID 60674684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).