4-fluoro-1-N-[(2-fluorophenyl)methyl]-5-propoxybenzene-1,2-diamine

C16H18F2N2O — CID 63592209

IUPAC4-fluoro-1-N-[(2-fluorophenyl)methyl]-5-propoxybenzene-1,2-diamine
SMILESCCCOc1cc(NCc2ccccc2F)c(N)cc1F
InChIInChI=1S/C16H18F2N2O/c1-2-7-21-16-9-15(14(19)8-13(16)18)20-10-11-5-3-4-6-12(11)17/h3-6,8-9,20H,2,7,10,19H2,1H3
InChIKeyZRMVOPIDFPDFPG-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.95
Rot. Bonds6

About 4-fluoro-1-N-[(2-fluorophenyl)methyl]-5-propoxybenzene-1,2-diamine

4-fluoro-1-N-[(2-fluorophenyl)methyl]-5-propoxybenzene-1,2-diamine (PubChem CID 63592209) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-fluoro-1-N-[(2-fluorophenyl)methyl]-5-propoxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-[(2-fluorophenyl)methyl]-5-propoxybenzene-1,2-diamine
PubChem CID63592209
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-fluoro-1-N-[(2-fluorophenyl)methyl]-5-propoxybenzene-1,2-diamine
SMILESCCCOc1cc(NCc2ccccc2F)c(N)cc1F
InChIInChI=1S/C16H18F2N2O/c1-2-7-21-16-9-15(14(19)8-13(16)18)20-10-11-5-3-4-6-12(11)17/h3-6,8-9,20H,2,7,10,19H2,1H3
InChIKeyZRMVOPIDFPDFPG-UHFFFAOYSA-N
XLogP3.95
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-5-fluoro-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine
CID 63592499
4-fluoro-1-N-[(2-methylpyrimidin-4-yl)methyl]-5-propoxybenzene-1,2-diamine
CID 63592969
4-fluoro-5-propoxy-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 63591947
2-fluoro-N-[(2-propoxyphenyl)methyl]aniline
CID 39360343
2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
CID 115126755
N-[(2-fluorophenyl)methyl]-3,4-dipropoxyaniline
CID 83961565
1-N-(2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 63592569
N-[(2-fluorophenyl)methyl]-2-pentoxyaniline
CID 83961637
4-chloro-5-fluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine
CID 66079324
1-N-(3-bromophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 63592218
3-(2-amino-4-fluoro-5-propoxyanilino)-N-methylpropanamide
CID 63591924
3-(2-amino-4-fluoro-5-propoxyanilino)-2-hydroxypropanamide
CID 106166701

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-[(2-fluorophenyl)methyl]-5-propoxybenzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-[(2-fluorophenyl)methyl]-5-propoxybenzene-1,2-diamine (CID 63592209) is 4-fluoro-1-N-[(2-fluorophenyl)methyl]-5-propoxybenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-[(2-fluorophenyl)methyl]-5-propoxybenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-[(2-fluorophenyl)methyl]-5-propoxybenzene-1,2-diamine is CCCOc1cc(NCc2ccccc2F)c(N)cc1F.
What is the InChIKey of 4-fluoro-1-N-[(2-fluorophenyl)methyl]-5-propoxybenzene-1,2-diamine?
The InChIKey is ZRMVOPIDFPDFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-2-7-21-16-9-15(14(19)8-13(16)18)20-10-11-5-3-4-6-12(11)17/h3-6,8-9,20H,2,7,10,19H2,1H3.
What are the key properties of 4-fluoro-1-N-[(2-fluorophenyl)methyl]-5-propoxybenzene-1,2-diamine?
4-fluoro-1-N-[(2-fluorophenyl)methyl]-5-propoxybenzene-1,2-diamine has a molecular weight of 292.33 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-[(2-fluorophenyl)methyl]-5-propoxybenzene-1,2-diamine is sourced from PubChem (CID 63592209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).