2-chloro-4-iodo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline

C15H11ClINS2 — CID 43788820

IUPAC2-chloro-4-iodo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
SMILESClc1cc(I)ccc1NCc1cc(-c2cccs2)cs1
InChIInChI=1S/C15H11ClINS2/c16-13-7-11(17)3-4-14(13)18-8-12-6-10(9-20-12)15-2-1-5-19-15/h1-7,9,18H,8H2
InChIKeyYSCBIXZBLXNGSJ-UHFFFAOYSA-N
MW431.75 g/mol
LogP6.35
Rot. Bonds4

About 2-chloro-4-iodo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline

2-chloro-4-iodo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline (PubChem CID 43788820) has the molecular formula C15H11ClINS2 and a molecular weight of 431.75 g/mol. Its IUPAC name is 2-chloro-4-iodo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-4-iodo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
PubChem CID43788820
Molecular FormulaC15H11ClINS2
Molecular Weight431.75 g/mol
Exact Mass430.91
IUPAC Name2-chloro-4-iodo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
SMILESClc1cc(I)ccc1NCc1cc(-c2cccs2)cs1
InChIInChI=1S/C15H11ClINS2/c16-13-7-11(17)3-4-14(13)18-8-12-6-10(9-20-12)15-2-1-5-19-15/h1-7,9,18H,8H2
InChIKeyYSCBIXZBLXNGSJ-UHFFFAOYSA-N
XLogP6.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.75
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trifluoro-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43759563
4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]phenol
CID 43790423
4-fluoro-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43764932
4-methoxy-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 63476524
5-fluoro-2-[(4-thiophen-2-ylthiophen-2-yl)methylamino]benzonitrile
CID 82014697
4-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyridin-3-amine
CID 63329419
N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-1H-indazol-4-amine
CID 60931499
4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43766039
4-N,4-N-dimethyl-1-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 43778754
(1S)-1-(4-chlorophenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81355528
2-chloro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 43173657
1-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyrazol-3-amine
CID 60809961

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline?
The IUPAC name of 2-chloro-4-iodo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline (CID 43788820) is 2-chloro-4-iodo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 2-chloro-4-iodo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 2-chloro-4-iodo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline is Clc1cc(I)ccc1NCc1cc(-c2cccs2)cs1.
What is the InChIKey of 2-chloro-4-iodo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline?
The InChIKey is YSCBIXZBLXNGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClINS2/c16-13-7-11(17)3-4-14(13)18-8-12-6-10(9-20-12)15-2-1-5-19-15/h1-7,9,18H,8H2.
What are the key properties of 2-chloro-4-iodo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline?
2-chloro-4-iodo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline has a molecular weight of 431.75 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 43788820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).