4-N-ethyl-4-N-[(4-iodophenyl)methyl]benzene-1,4-diamine

C15H17IN2 — CID 65476799

IUPAC4-N-ethyl-4-N-[(4-iodophenyl)methyl]benzene-1,4-diamine
SMILESCCN(Cc1ccc(I)cc1)c1ccc(N)cc1
InChIInChI=1S/C15H17IN2/c1-2-18(15-9-7-14(17)8-10-15)11-12-3-5-13(16)6-4-12/h3-10H,2,11,17H2,1H3
InChIKeyGMLXZOUFMZYRPA-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.90
Rot. Bonds4

About 4-N-ethyl-4-N-[(4-iodophenyl)methyl]benzene-1,4-diamine

4-N-ethyl-4-N-[(4-iodophenyl)methyl]benzene-1,4-diamine (PubChem CID 65476799) has the molecular formula C15H17IN2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 4-N-ethyl-4-N-[(4-iodophenyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-[(4-iodophenyl)methyl]benzene-1,4-diamine
PubChem CID65476799
Molecular FormulaC15H17IN2
Molecular Weight352.22 g/mol
Exact Mass352.04
IUPAC Name4-N-ethyl-4-N-[(4-iodophenyl)methyl]benzene-1,4-diamine
SMILESCCN(Cc1ccc(I)cc1)c1ccc(N)cc1
InChIInChI=1S/C15H17IN2/c1-2-18(15-9-7-14(17)8-10-15)11-12-3-5-13(16)6-4-12/h3-10H,2,11,17H2,1H3
InChIKeyGMLXZOUFMZYRPA-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-N-[(4-iodophenyl)methyl]-4-N-propylbenzene-1,4-diamine
CID 65477008
4-[(4-amino-N-ethylanilino)methyl]benzamide
CID 63233885
4-[(4-aminophenyl)methyl-ethylamino]benzenesulfonamide
CID 60875699
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270
4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine
CID 107882083
4-(2-aminoethyl)-N-benzyl-N-ethylaniline
CID 63783223
5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile
CID 115490478
4-[[N-[(4-aminophenyl)methyl]anilino]methyl]aniline;ethane
CID 90899245
ethane;4-iodoaniline
CID 91398425
N-benzyl-4-(bromomethyl)-N-ethylaniline
CID 107079787
4-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile
CID 62924524
2-(4-amino-N-ethylanilino)ethanol;hydrate
CID 68828787

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-[(4-iodophenyl)methyl]benzene-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-[(4-iodophenyl)methyl]benzene-1,4-diamine (CID 65476799) is 4-N-ethyl-4-N-[(4-iodophenyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-[(4-iodophenyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-[(4-iodophenyl)methyl]benzene-1,4-diamine is CCN(Cc1ccc(I)cc1)c1ccc(N)cc1.
What is the InChIKey of 4-N-ethyl-4-N-[(4-iodophenyl)methyl]benzene-1,4-diamine?
The InChIKey is GMLXZOUFMZYRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2/c1-2-18(15-9-7-14(17)8-10-15)11-12-3-5-13(16)6-4-12/h3-10H,2,11,17H2,1H3.
What are the key properties of 4-N-ethyl-4-N-[(4-iodophenyl)methyl]benzene-1,4-diamine?
4-N-ethyl-4-N-[(4-iodophenyl)methyl]benzene-1,4-diamine has a molecular weight of 352.22 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-[(4-iodophenyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 65476799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).