4-fluoro-5-iodo-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine

C13H14FIN2S — CID 66101858

IUPAC4-fluoro-5-iodo-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
SMILESCc1ccc(C(C)Nc2cc(F)c(I)cc2N)s1
InChIInChI=1S/C13H14FIN2S/c1-7-3-4-13(18-7)8(2)17-12-5-9(14)10(15)6-11(12)16/h3-6,8,17H,16H2,1-2H3
InChIKeyZWFUWGGFQQRFSP-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.56
Rot. Bonds3

About 4-fluoro-5-iodo-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine

4-fluoro-5-iodo-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine (PubChem CID 66101858) has the molecular formula C13H14FIN2S and a molecular weight of 376.24 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
PubChem CID66101858
Molecular FormulaC13H14FIN2S
Molecular Weight376.24 g/mol
Exact Mass375.99
IUPAC Name4-fluoro-5-iodo-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
SMILESCc1ccc(C(C)Nc2cc(F)c(I)cc2N)s1
InChIInChI=1S/C13H14FIN2S/c1-7-3-4-13(18-7)8(2)17-12-5-9(14)10(15)6-11(12)16/h3-6,8,17H,16H2,1-2H3
InChIKeyZWFUWGGFQQRFSP-UHFFFAOYSA-N
XLogP4.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-5-fluoro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
CID 116735659
2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoro-5-iodobenzene-1,2-diamine
CID 66099897
4-chloro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
CID 115468753
4-bromo-2,5-difluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 107609300
2,3,5-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 55119065
4-fluoro-2-N-[1-(furan-2-yl)ethyl]-5-iodobenzene-1,2-diamine
CID 66101255
4-amino-3-[1-(5-methylthiophen-2-yl)ethylamino]benzenesulfonamide
CID 82907089
4-fluoro-5-iodo-2-N-(5-methylhexan-2-yl)benzene-1,2-diamine
CID 66099931
2-bromo-4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43119334
3-methyl-5-N-[1-(5-methylthiophen-2-yl)ethyl]isoquinoline-5,8-diamine
CID 102713195
4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 62810732
4-methyl-1-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,3-diamine
CID 62911996

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-iodo-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine (CID 66101858) is 4-fluoro-5-iodo-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-iodo-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-iodo-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine is Cc1ccc(C(C)Nc2cc(F)c(I)cc2N)s1.
What is the InChIKey of 4-fluoro-5-iodo-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine?
The InChIKey is ZWFUWGGFQQRFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FIN2S/c1-7-3-4-13(18-7)8(2)17-12-5-9(14)10(15)6-11(12)16/h3-6,8,17H,16H2,1-2H3.
What are the key properties of 4-fluoro-5-iodo-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine?
4-fluoro-5-iodo-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine has a molecular weight of 376.24 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 66101858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).