N-[2-(4-iodophenyl)ethyl]-3,5-dimethylaniline

C16H18IN — CID 139263974

IUPACN-[2-(4-iodophenyl)ethyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NCCc2ccc(I)cc2)c1
InChIInChI=1S/C16H18IN/c1-12-9-13(2)11-16(10-12)18-8-7-14-3-5-15(17)6-4-14/h3-6,9-11,18H,7-8H2,1-2H3
InChIKeyXRSIWHQOGHNNEY-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.56
Rot. Bonds4

About N-[2-(4-iodophenyl)ethyl]-3,5-dimethylaniline

N-[2-(4-iodophenyl)ethyl]-3,5-dimethylaniline (PubChem CID 139263974) has the molecular formula C16H18IN and a molecular weight of 351.23 g/mol. Its IUPAC name is N-[2-(4-iodophenyl)ethyl]-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[2-(4-iodophenyl)ethyl]-3,5-dimethylaniline
PubChem CID139263974
Molecular FormulaC16H18IN
Molecular Weight351.23 g/mol
Exact Mass351.05
IUPAC NameN-[2-(4-iodophenyl)ethyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NCCc2ccc(I)cc2)c1
InChIInChI=1S/C16H18IN/c1-12-9-13(2)11-16(10-12)18-8-7-14-3-5-15(17)6-4-14/h3-6,9-11,18H,7-8H2,1-2H3
InChIKeyXRSIWHQOGHNNEY-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.56
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-[2-(3,5-dimethylanilino)ethyl]phenol
CID 170698256
4-[3-(3,5-dimethylanilino)propyl]phenol
CID 83457314
2-[4-[2-(3,5-dimethylanilino)ethyl]phenoxy]-2-methylpropanoic acid
CID 67811284
1-iodo-4-[2-(4-methylphenyl)ethyl]benzene
CID 118487182
N-[2-(4-fluorophenyl)ethyl]-3-methylaniline
CID 57041855
3-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzene-1,3-diamine
CID 112647165
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000710
N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline
CID 55040391
N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline
CID 54763230
3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63774162
4-iodo-2-methyl-N-(2-phenylethyl)aniline
CID 43227953
N-[(4-iodophenyl)methyl]-4-methylaniline
CID 60674684

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-iodophenyl)ethyl]-3,5-dimethylaniline?
The IUPAC name of N-[2-(4-iodophenyl)ethyl]-3,5-dimethylaniline (CID 139263974) is N-[2-(4-iodophenyl)ethyl]-3,5-dimethylaniline.
What is the SMILES notation for N-[2-(4-iodophenyl)ethyl]-3,5-dimethylaniline?
The canonical SMILES for N-[2-(4-iodophenyl)ethyl]-3,5-dimethylaniline is Cc1cc(C)cc(NCCc2ccc(I)cc2)c1.
What is the InChIKey of N-[2-(4-iodophenyl)ethyl]-3,5-dimethylaniline?
The InChIKey is XRSIWHQOGHNNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IN/c1-12-9-13(2)11-16(10-12)18-8-7-14-3-5-15(17)6-4-14/h3-6,9-11,18H,7-8H2,1-2H3.
What are the key properties of N-[2-(4-iodophenyl)ethyl]-3,5-dimethylaniline?
N-[2-(4-iodophenyl)ethyl]-3,5-dimethylaniline has a molecular weight of 351.23 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-iodophenyl)ethyl]-3,5-dimethylaniline is sourced from PubChem (CID 139263974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).