4-fluoro-5-iodo-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine

C14H14FIN2O — CID 66099500

IUPAC4-fluoro-5-iodo-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
SMILESCOc1cccc(CNc2cc(F)c(I)cc2N)c1
InChIInChI=1S/C14H14FIN2O/c1-19-10-4-2-3-9(5-10)8-18-14-6-11(15)12(16)7-13(14)17/h2-7,18H,8,17H2,1H3
InChIKeyLNQGXKIXPDYCRV-UHFFFAOYSA-N
MW372.18 g/mol
LogP3.63
Rot. Bonds4

About 4-fluoro-5-iodo-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine

4-fluoro-5-iodo-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine (PubChem CID 66099500) has the molecular formula C14H14FIN2O and a molecular weight of 372.18 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
PubChem CID66099500
Molecular FormulaC14H14FIN2O
Molecular Weight372.18 g/mol
Exact Mass372.01
IUPAC Name4-fluoro-5-iodo-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
SMILESCOc1cccc(CNc2cc(F)c(I)cc2N)c1
InChIInChI=1S/C14H14FIN2O/c1-19-10-4-2-3-9(5-10)8-18-14-6-11(15)12(16)7-13(14)17/h2-7,18H,8,17H2,1H3
InChIKeyLNQGXKIXPDYCRV-UHFFFAOYSA-N
XLogP3.63
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.18
LogP ≤ 53.63
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

2-N-[(3-bromophenyl)methyl]-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101460
3-fluoro-1-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
CID 54911085
4-fluoro-5-iodo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
CID 66100905
4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline
CID 79768483
2-N-[(3,4-difluorophenyl)methyl]-4-fluoro-5-iodobenzene-1,2-diamine
CID 66102255
4-fluoro-5-iodo-2-[(3-methoxyphenyl)methoxy]aniline
CID 66100157
3,4-difluoro-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
CID 62533179
2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline
CID 28879448
4-fluoro-5-iodo-2-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 66100710
3-N-[(3-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine
CID 62589428
2-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline
CID 28878919
4-[(2-amino-5-fluoro-4-iodoanilino)methyl]benzonitrile
CID 66102073

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-iodo-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine (CID 66099500) is 4-fluoro-5-iodo-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-iodo-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-iodo-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine is COc1cccc(CNc2cc(F)c(I)cc2N)c1.
What is the InChIKey of 4-fluoro-5-iodo-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine?
The InChIKey is LNQGXKIXPDYCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FIN2O/c1-19-10-4-2-3-9(5-10)8-18-14-6-11(15)12(16)7-13(14)17/h2-7,18H,8,17H2,1H3.
What are the key properties of 4-fluoro-5-iodo-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine?
4-fluoro-5-iodo-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine has a molecular weight of 372.18 g/mol, XLogP of 3.63, 4 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-[(3-methoxyphenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 66099500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).