1-N-[(2-fluorophenyl)methyl]-2-iodo-1-N-methylbenzene-1,4-diamine

C14H14FIN2 — CID 66094772

IUPAC1-N-[(2-fluorophenyl)methyl]-2-iodo-1-N-methylbenzene-1,4-diamine
SMILESCN(Cc1ccccc1F)c1ccc(N)cc1I
InChIInChI=1S/C14H14FIN2/c1-18(9-10-4-2-3-5-12(10)15)14-7-6-11(17)8-13(14)16/h2-8H,9,17H2,1H3
InChIKeyDDAPEYFIVOQIBK-UHFFFAOYSA-N
MW356.18 g/mol
LogP3.65
Rot. Bonds3

About 1-N-[(2-fluorophenyl)methyl]-2-iodo-1-N-methylbenzene-1,4-diamine

1-N-[(2-fluorophenyl)methyl]-2-iodo-1-N-methylbenzene-1,4-diamine (PubChem CID 66094772) has the molecular formula C14H14FIN2 and a molecular weight of 356.18 g/mol. Its IUPAC name is 1-N-[(2-fluorophenyl)methyl]-2-iodo-1-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[(2-fluorophenyl)methyl]-2-iodo-1-N-methylbenzene-1,4-diamine
PubChem CID66094772
Molecular FormulaC14H14FIN2
Molecular Weight356.18 g/mol
Exact Mass356.02
IUPAC Name1-N-[(2-fluorophenyl)methyl]-2-iodo-1-N-methylbenzene-1,4-diamine
SMILESCN(Cc1ccccc1F)c1ccc(N)cc1I
InChIInChI=1S/C14H14FIN2/c1-18(9-10-4-2-3-5-12(10)15)14-7-6-11(17)8-13(14)16/h2-8H,9,17H2,1H3
InChIKeyDDAPEYFIVOQIBK-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline
CID 64768467
4-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 43577989
3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine
CID 39247780
2-iodo-1-N-methyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
CID 66093340
2-iodo-1-N-methyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 66092918
3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834154
[2-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 61412891
5-fluoro-2-[(2-fluorophenyl)methyl-methylamino]benzenecarbothioamide
CID 63673025
4-(1-aminoethyl)-2-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
CID 62910058
4-N-[(2,3-difluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 43658941
2-amino-3-[(2-fluorophenyl)methyl-methylamino]benzonitrile
CID 104716346
1-N-[(2-bromophenyl)methyl]-2-(difluoromethyl)-1-N-methylbenzene-1,4-diamine
CID 63735129

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-fluorophenyl)methyl]-2-iodo-1-N-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-[(2-fluorophenyl)methyl]-2-iodo-1-N-methylbenzene-1,4-diamine (CID 66094772) is 1-N-[(2-fluorophenyl)methyl]-2-iodo-1-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[(2-fluorophenyl)methyl]-2-iodo-1-N-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[(2-fluorophenyl)methyl]-2-iodo-1-N-methylbenzene-1,4-diamine is CN(Cc1ccccc1F)c1ccc(N)cc1I.
What is the InChIKey of 1-N-[(2-fluorophenyl)methyl]-2-iodo-1-N-methylbenzene-1,4-diamine?
The InChIKey is DDAPEYFIVOQIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FIN2/c1-18(9-10-4-2-3-5-12(10)15)14-7-6-11(17)8-13(14)16/h2-8H,9,17H2,1H3.
What are the key properties of 1-N-[(2-fluorophenyl)methyl]-2-iodo-1-N-methylbenzene-1,4-diamine?
1-N-[(2-fluorophenyl)methyl]-2-iodo-1-N-methylbenzene-1,4-diamine has a molecular weight of 356.18 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-fluorophenyl)methyl]-2-iodo-1-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 66094772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).