1-N-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine

C10H15FN2O — CID 115196243

IUPAC1-N-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
SMILESCOc1ccc(F)cc1NCC(C)N
InChIInChI=1S/C10H15FN2O/c1-7(12)6-13-9-5-8(11)3-4-10(9)14-2/h3-5,7,13H,6,12H2,1-2H3
InChIKeyWNDMIMAFDNIMDK-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.59
Rot. Bonds4

About 1-N-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine

1-N-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine (PubChem CID 115196243) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-N-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
PubChem CID115196243
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name1-N-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
SMILESCOc1ccc(F)cc1NCC(C)N
InChIInChI=1S/C10H15FN2O/c1-7(12)6-13-9-5-8(11)3-4-10(9)14-2/h3-5,7,13H,6,12H2,1-2H3
InChIKeyWNDMIMAFDNIMDK-UHFFFAOYSA-N
XLogP1.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine
CID 115196249
1-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine
CID 115196333
2-[(5-fluoro-2-methoxyanilino)methyl]-3-methylbutanoic acid
CID 115250173
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]propane-1,2-diamine
CID 115196753
1-(5-fluoro-2-methoxyanilino)-2-methylpropan-2-ol
CID 115136729
N-ethyl-N'-(5-fluoro-2-methoxyphenyl)ethane-1,2-diamine
CID 115205550
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
1-N-(4-methoxy-2,5-dimethylphenyl)propane-1,2-diamine
CID 115196260
2-amino-3-(4-fluoro-2-methoxyanilino)propanamide
CID 103245523
5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 82539421
N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline
CID 60961963
5-fluoro-N-(4-fluorophenyl)-2-methoxyaniline
CID 82537214

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine?
The IUPAC name of 1-N-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine (CID 115196243) is 1-N-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine is COc1ccc(F)cc1NCC(C)N.
What is the InChIKey of 1-N-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine?
The InChIKey is WNDMIMAFDNIMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-7(12)6-13-9-5-8(11)3-4-10(9)14-2/h3-5,7,13H,6,12H2,1-2H3.
What are the key properties of 1-N-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine?
1-N-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine has a molecular weight of 198.24 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine is sourced from PubChem (CID 115196243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).