1-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzene-1,2-diamine

C14H14ClIN2 — CID 66065911

IUPAC1-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzene-1,2-diamine
SMILESCC(Nc1ccc(I)cc1N)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClIN2/c1-9(10-2-4-11(15)5-3-10)18-14-7-6-12(16)8-13(14)17/h2-9,18H,17H2,1H3
InChIKeyDNFLXHVQLLUUDH-UHFFFAOYSA-N
MW372.64 g/mol
LogP4.70
Rot. Bonds3

About 1-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzene-1,2-diamine

1-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzene-1,2-diamine (PubChem CID 66065911) has the molecular formula C14H14ClIN2 and a molecular weight of 372.64 g/mol. Its IUPAC name is 1-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzene-1,2-diamine
PubChem CID66065911
Molecular FormulaC14H14ClIN2
Molecular Weight372.64 g/mol
Exact Mass371.99
IUPAC Name1-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzene-1,2-diamine
SMILESCC(Nc1ccc(I)cc1N)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClIN2/c1-9(10-2-4-11(15)5-3-10)18-14-7-6-12(16)8-13(14)17/h2-9,18H,17H2,1H3
InChIKeyDNFLXHVQLLUUDH-UHFFFAOYSA-N
XLogP4.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.64
LogP ≤ 54.70
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

2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43788776
3-amino-4-[1-(4-chlorophenyl)ethylamino]-N-methylbenzamide
CID 82991478
1-N-(3,3-dimethylbutan-2-yl)-4-iodobenzene-1,2-diamine
CID 104827380
4-chloro-1-N-(1-thiophen-3-ylethyl)benzene-1,2-diamine
CID 62840811
2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline
CID 83069214
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 43381921
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43347291
1-N-(3-ethylpentan-2-yl)-4-iodobenzene-1,2-diamine
CID 66079740
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodo-2-methylaniline
CID 83069132
2-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-iodoaniline
CID 43733695
4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43101529
3-(2-amino-4-iodoanilino)butan-1-ol
CID 83177225

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzene-1,2-diamine?
The IUPAC name of 1-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzene-1,2-diamine (CID 66065911) is 1-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzene-1,2-diamine.
What is the SMILES notation for 1-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzene-1,2-diamine?
The canonical SMILES for 1-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzene-1,2-diamine is CC(Nc1ccc(I)cc1N)c1ccc(Cl)cc1.
What is the InChIKey of 1-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzene-1,2-diamine?
The InChIKey is DNFLXHVQLLUUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClIN2/c1-9(10-2-4-11(15)5-3-10)18-14-7-6-12(16)8-13(14)17/h2-9,18H,17H2,1H3.
What are the key properties of 1-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzene-1,2-diamine?
1-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzene-1,2-diamine has a molecular weight of 372.64 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzene-1,2-diamine is sourced from PubChem (CID 66065911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).