4-iodo-2-methyl-N-(2-phenylethyl)aniline

C15H16IN — CID 43227953

IUPAC4-iodo-2-methyl-N-(2-phenylethyl)aniline
SMILESCc1cc(I)ccc1NCCc1ccccc1
InChIInChI=1S/C15H16IN/c1-12-11-14(16)7-8-15(12)17-10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3
InChIKeyMVFGTWJCFDXPFI-UHFFFAOYSA-N
MW337.20 g/mol
LogP4.25
Rot. Bonds4

About 4-iodo-2-methyl-N-(2-phenylethyl)aniline

4-iodo-2-methyl-N-(2-phenylethyl)aniline (PubChem CID 43227953) has the molecular formula C15H16IN and a molecular weight of 337.20 g/mol. Its IUPAC name is 4-iodo-2-methyl-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name4-iodo-2-methyl-N-(2-phenylethyl)aniline
PubChem CID43227953
Molecular FormulaC15H16IN
Molecular Weight337.20 g/mol
Exact Mass337.03
IUPAC Name4-iodo-2-methyl-N-(2-phenylethyl)aniline
SMILESCc1cc(I)ccc1NCCc1ccccc1
InChIInChI=1S/C15H16IN/c1-12-11-14(16)7-8-15(12)17-10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3
InChIKeyMVFGTWJCFDXPFI-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-methyl-N-(2-phenylethyl)aniline?
The IUPAC name of 4-iodo-2-methyl-N-(2-phenylethyl)aniline (CID 43227953) is 4-iodo-2-methyl-N-(2-phenylethyl)aniline.
What is the SMILES notation for 4-iodo-2-methyl-N-(2-phenylethyl)aniline?
The canonical SMILES for 4-iodo-2-methyl-N-(2-phenylethyl)aniline is Cc1cc(I)ccc1NCCc1ccccc1.
What is the InChIKey of 4-iodo-2-methyl-N-(2-phenylethyl)aniline?
The InChIKey is MVFGTWJCFDXPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN/c1-12-11-14(16)7-8-15(12)17-10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3.
What are the key properties of 4-iodo-2-methyl-N-(2-phenylethyl)aniline?
4-iodo-2-methyl-N-(2-phenylethyl)aniline has a molecular weight of 337.20 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-methyl-N-(2-phenylethyl)aniline is sourced from PubChem (CID 43227953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).