N'-(4-fluoro-2-iodophenyl)-2-methylpropane-1,3-diamine

C10H14FIN2 — CID 126985657

IUPACN'-(4-fluoro-2-iodophenyl)-2-methylpropane-1,3-diamine
SMILESCC(CN)CNc1ccc(F)cc1I
InChIInChI=1S/C10H14FIN2/c1-7(5-13)6-14-10-3-2-8(11)4-9(10)12/h2-4,7,14H,5-6,13H2,1H3
InChIKeyYHJSXHRYEDJWFF-UHFFFAOYSA-N
MW308.14 g/mol
LogP2.44
Rot. Bonds4

About N'-(4-fluoro-2-iodophenyl)-2-methylpropane-1,3-diamine

N'-(4-fluoro-2-iodophenyl)-2-methylpropane-1,3-diamine (PubChem CID 126985657) has the molecular formula C10H14FIN2 and a molecular weight of 308.14 g/mol. Its IUPAC name is N'-(4-fluoro-2-iodophenyl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-fluoro-2-iodophenyl)-2-methylpropane-1,3-diamine
PubChem CID126985657
Molecular FormulaC10H14FIN2
Molecular Weight308.14 g/mol
Exact Mass308.02
IUPAC NameN'-(4-fluoro-2-iodophenyl)-2-methylpropane-1,3-diamine
SMILESCC(CN)CNc1ccc(F)cc1I
InChIInChI=1S/C10H14FIN2/c1-7(5-13)6-14-10-3-2-8(11)4-9(10)12/h2-4,7,14H,5-6,13H2,1H3
InChIKeyYHJSXHRYEDJWFF-UHFFFAOYSA-N
XLogP2.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-iodo-N-(2-methylbutyl)aniline
CID 79769161
N-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride
CID 119995600
2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide
CID 79769575
methyl 3-(4-fluoro-2-iodoanilino)-2-phenylpropanoate
CID 79759348
1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol
CID 79769099
1-(4-fluoro-2-iodoanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 79769591
4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)aniline
CID 79769171
4-fluoro-2-iodo-N-(2-methoxyethyl)aniline
CID 79769085
1-(4-fluoro-2-iodoanilino)-3-(3-methylphenoxy)propan-2-ol
CID 79759481
N-[(2,5-dimethylphenyl)methyl]-4-fluoro-2-iodoaniline
CID 79768890
3-(4-fluoro-2-iodoanilino)-2-methylbutan-2-ol
CID 79768647
4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline
CID 79768402

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluoro-2-iodophenyl)-2-methylpropane-1,3-diamine?
The IUPAC name of N'-(4-fluoro-2-iodophenyl)-2-methylpropane-1,3-diamine (CID 126985657) is N'-(4-fluoro-2-iodophenyl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-fluoro-2-iodophenyl)-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-(4-fluoro-2-iodophenyl)-2-methylpropane-1,3-diamine is CC(CN)CNc1ccc(F)cc1I.
What is the InChIKey of N'-(4-fluoro-2-iodophenyl)-2-methylpropane-1,3-diamine?
The InChIKey is YHJSXHRYEDJWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FIN2/c1-7(5-13)6-14-10-3-2-8(11)4-9(10)12/h2-4,7,14H,5-6,13H2,1H3.
What are the key properties of N'-(4-fluoro-2-iodophenyl)-2-methylpropane-1,3-diamine?
N'-(4-fluoro-2-iodophenyl)-2-methylpropane-1,3-diamine has a molecular weight of 308.14 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluoro-2-iodophenyl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 126985657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).