3-chloro-N-[(4-iodophenyl)methyl]aniline

C13H11ClIN — CID 65477156

IUPAC3-chloro-N-[(4-iodophenyl)methyl]aniline
SMILESClc1cccc(NCc2ccc(I)cc2)c1
InChIInChI=1S/C13H11ClIN/c14-11-2-1-3-13(8-11)16-9-10-4-6-12(15)7-5-10/h1-8,16H,9H2
InChIKeyWPBFEEKNTYTGNY-UHFFFAOYSA-N
MW343.60 g/mol
LogP4.56
Rot. Bonds3

About 3-chloro-N-[(4-iodophenyl)methyl]aniline

3-chloro-N-[(4-iodophenyl)methyl]aniline (PubChem CID 65477156) has the molecular formula C13H11ClIN and a molecular weight of 343.60 g/mol. Its IUPAC name is 3-chloro-N-[(4-iodophenyl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[(4-iodophenyl)methyl]aniline
PubChem CID65477156
Molecular FormulaC13H11ClIN
Molecular Weight343.60 g/mol
Exact Mass342.96
IUPAC Name3-chloro-N-[(4-iodophenyl)methyl]aniline
SMILESClc1cccc(NCc2ccc(I)cc2)c1
InChIInChI=1S/C13H11ClIN/c14-11-2-1-3-13(8-11)16-9-10-4-6-12(15)7-5-10/h1-8,16H,9H2
InChIKeyWPBFEEKNTYTGNY-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.60
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline
CID 82538574
N-[(4-iodophenyl)methyl]-3-methoxyaniline
CID 65478997
3-[(4-iodophenyl)methylamino]benzamide
CID 107811157
3-chloro-N-[(4-propoxyphenyl)methyl]aniline
CID 29296989
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
2,5-dichloro-N-[(4-iodophenyl)methyl]aniline
CID 65499551
N-[(4-chlorophenyl)methyl]-3-methylaniline
CID 15533172
4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline
CID 65479215
3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979180
3-chloro-2-[4-[(3-chloroanilino)methyl]phenoxy]aniline
CID 155545085
3-[(4-chlorophenyl)methylamino]benzenesulfonic acid
CID 12852935
2-bromo-4-chloro-N-[(4-iodophenyl)methyl]aniline
CID 81270333

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-iodophenyl)methyl]aniline?
The IUPAC name of 3-chloro-N-[(4-iodophenyl)methyl]aniline (CID 65477156) is 3-chloro-N-[(4-iodophenyl)methyl]aniline.
What is the SMILES notation for 3-chloro-N-[(4-iodophenyl)methyl]aniline?
The canonical SMILES for 3-chloro-N-[(4-iodophenyl)methyl]aniline is Clc1cccc(NCc2ccc(I)cc2)c1.
What is the InChIKey of 3-chloro-N-[(4-iodophenyl)methyl]aniline?
The InChIKey is WPBFEEKNTYTGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClIN/c14-11-2-1-3-13(8-11)16-9-10-4-6-12(15)7-5-10/h1-8,16H,9H2.
What are the key properties of 3-chloro-N-[(4-iodophenyl)methyl]aniline?
3-chloro-N-[(4-iodophenyl)methyl]aniline has a molecular weight of 343.60 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-iodophenyl)methyl]aniline is sourced from PubChem (CID 65477156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).