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

C10H15FN2O — CID 116855541

IUPAC2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
SMILESCOc1ccc(F)cc1C(C)(N)CN
InChIInChI=1S/C10H15FN2O/c1-10(13,6-12)8-5-7(11)3-4-9(8)14-2/h3-5H,6,12-13H2,1-2H3
InChIKeyWYMWLFNUMRKECI-UHFFFAOYSA-N
MW198.24 g/mol
LogP0.97
Rot. Bonds3

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

2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine (PubChem CID 116855541) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
PubChem CID116855541
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
SMILESCOc1ccc(F)cc1C(C)(N)CN
InChIInChI=1S/C10H15FN2O/c1-10(13,6-12)8-5-7(11)3-4-9(8)14-2/h3-5H,6,12-13H2,1-2H3
InChIKeyWYMWLFNUMRKECI-UHFFFAOYSA-N
XLogP0.97
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647
2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine
CID 23198486
(2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 97294141
2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 80502577
2-fluoro-2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine
CID 112566851
(2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile
CID 94679966
4-amino-3-(5-fluoro-2-methoxyphenyl)-3-methylbutanoic acid;hydrochloride
CID 146308272
3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 82111061
2-amino-2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 55273470
1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 82769168
2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene
CID 116841226
2-(5-fluoro-2-methoxyphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853483

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine (CID 116855541) is 2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine is COc1ccc(F)cc1C(C)(N)CN.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine?
The InChIKey is WYMWLFNUMRKECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-10(13,6-12)8-5-7(11)3-4-9(8)14-2/h3-5H,6,12-13H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine?
2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine has a molecular weight of 198.24 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine is sourced from PubChem (CID 116855541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).