2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine

C15H17IN2 — CID 79763208

IUPAC2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
SMILESCc1ccccc1CCNc1ccc(N)cc1I
InChIInChI=1S/C15H17IN2/c1-11-4-2-3-5-12(11)8-9-18-15-7-6-13(17)10-14(15)16/h2-7,10,18H,8-9,17H2,1H3
InChIKeyJYVHEQFRFVEFHC-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.84
Rot. Bonds4

About 2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine

2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine (PubChem CID 79763208) has the molecular formula C15H17IN2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
PubChem CID79763208
Molecular FormulaC15H17IN2
Molecular Weight352.22 g/mol
Exact Mass352.04
IUPAC Name2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
SMILESCc1ccccc1CCNc1ccc(N)cc1I
InChIInChI=1S/C15H17IN2/c1-11-4-2-3-5-12(11)8-9-18-15-7-6-13(17)10-14(15)16/h2-7,10,18H,8-9,17H2,1H3
InChIKeyJYVHEQFRFVEFHC-UHFFFAOYSA-N
XLogP3.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine
CID 115126820
4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 79763749
2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline
CID 54796543
1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine
CID 66095990
5-amino-2-methyl-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 78984276
1-N-[2-(2-methylphenyl)ethyl]-4-methylsulfonylbenzene-1,2-diamine
CID 79756350
3-amino-4-[2-(2-methylphenyl)ethylamino]benzenesulfonamide
CID 79756339
2-iodo-1-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 66094598
1-N-benzyl-2-iodobenzene-1,4-diamine
CID 66093524
2-chloro-N-[2-(2-methylphenyl)ethyl]aniline
CID 54796032
3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide
CID 66092727
2-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 175547385

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine?
The IUPAC name of 2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine (CID 79763208) is 2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine is Cc1ccccc1CCNc1ccc(N)cc1I.
What is the InChIKey of 2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine?
The InChIKey is JYVHEQFRFVEFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2/c1-11-4-2-3-5-12(11)8-9-18-15-7-6-13(17)10-14(15)16/h2-7,10,18H,8-9,17H2,1H3.
What are the key properties of 2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine?
2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine has a molecular weight of 352.22 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 79763208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).