N-[1-(4-chlorophenyl)propyl]-2-iodoaniline

C15H15ClIN — CID 43124768

IUPACN-[1-(4-chlorophenyl)propyl]-2-iodoaniline
SMILESCCC(Nc1ccccc1I)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClIN/c1-2-14(11-7-9-12(16)10-8-11)18-15-6-4-3-5-13(15)17/h3-10,14,18H,2H2,1H3
InChIKeyJKYUQLVJBUQTOA-UHFFFAOYSA-N
MW371.65 g/mol
LogP5.51
Rot. Bonds4

About N-[1-(4-chlorophenyl)propyl]-2-iodoaniline

N-[1-(4-chlorophenyl)propyl]-2-iodoaniline (PubChem CID 43124768) has the molecular formula C15H15ClIN and a molecular weight of 371.65 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-2-iodoaniline.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-2-iodoaniline
PubChem CID43124768
Molecular FormulaC15H15ClIN
Molecular Weight371.65 g/mol
Exact Mass370.99
IUPAC NameN-[1-(4-chlorophenyl)propyl]-2-iodoaniline
SMILESCCC(Nc1ccccc1I)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClIN/c1-2-14(11-7-9-12(16)10-8-11)18-15-6-4-3-5-13(15)17/h3-10,14,18H,2H2,1H3
InChIKeyJKYUQLVJBUQTOA-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.65
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[1-(4-chlorophenyl)propyl]-2-iodoaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-chlorophenyl)propylamino]benzonitrile
CID 43080476
2-chloro-N-(1-phenylpropyl)aniline
CID 43105652
N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline
CID 63476825
5-chloro-2-fluoro-N-(1-phenylpropyl)aniline
CID 43381923
N-[1-(4-chlorophenyl)propyl]-2-methyl-3-nitroaniline
CID 43719693
2-(4-chlorophenyl)-2-(2-methylanilino)ethanol
CID 61045329
4-chloro-2-iodo-N-[1-(2-methoxyphenyl)propyl]aniline
CID 107631818
N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine
CID 55175519
2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol
CID 61048136
2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline
CID 43098482
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
4-chloro-1-N,1-N-dimethyl-2-N-[1-(4-methylphenyl)propyl]benzene-1,2-diamine
CID 43741160

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-2-iodoaniline?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-2-iodoaniline (CID 43124768) is N-[1-(4-chlorophenyl)propyl]-2-iodoaniline.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-2-iodoaniline?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-2-iodoaniline is CCC(Nc1ccccc1I)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-2-iodoaniline?
The InChIKey is JKYUQLVJBUQTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClIN/c1-2-14(11-7-9-12(16)10-8-11)18-15-6-4-3-5-13(15)17/h3-10,14,18H,2H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)propyl]-2-iodoaniline?
N-[1-(4-chlorophenyl)propyl]-2-iodoaniline has a molecular weight of 371.65 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-2-iodoaniline is sourced from PubChem (CID 43124768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).