3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride

C12H13Cl2FN2O — CID 75530160

IUPAC3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride
SMILESCl.Cl.Nc1ccc(OCc2ccccn2)c(F)c1
InChIInChI=1S/C12H11FN2O.2ClH/c13-11-7-9(14)4-5-12(11)16-8-10-3-1-2-6-15-10;;/h1-7H,8,14H2;2*1H
InChIKeyNBPXVKLPVVSKGD-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.23
Rot. Bonds3

About 3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride

3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride (PubChem CID 75530160) has the molecular formula C12H13Cl2FN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride.

Molecular Properties

Compound Name3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride
PubChem CID75530160
Molecular FormulaC12H13Cl2FN2O
Molecular Weight291.15 g/mol
Exact Mass290.04
IUPAC Name3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride
SMILESCl.Cl.Nc1ccc(OCc2ccccn2)c(F)c1
InChIInChI=1S/C12H11FN2O.2ClH/c13-11-7-9(14)4-5-12(11)16-8-10-3-1-2-6-15-10;;/h1-7H,8,14H2;2*1H
InChIKeyNBPXVKLPVVSKGD-UHFFFAOYSA-N
XLogP3.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-(pyridin-2-ylmethoxy)benzamide;hydrochloride
CID 142684298
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CID 107693096
3-fluoro-4-(pyridin-2-ylmethyl)aniline
CID 54086416
2-fluoro-5-methyl-4-(pyridin-2-ylmethoxy)aniline
CID 146469919
2-chloro-N'-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide
CID 169368725
3-fluoro-4-(quinolin-4-ylmethoxy)aniline
CID 79235627
4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline
CID 114929926
2-[(2-fluoro-4-propylphenoxy)methyl]pyridine;methanediol
CID 143451373
methyl 3-fluoro-4-(pyridin-2-ylmethoxy)benzoate
CID 69001811
4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride
CID 119898314
2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine
CID 63320510
3-fluoro-4-(naphthalen-1-ylmethoxy)aniline
CID 26190143

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride?
The IUPAC name of 3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride (CID 75530160) is 3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride.
What is the SMILES notation for 3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride?
The canonical SMILES for 3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride is Cl.Cl.Nc1ccc(OCc2ccccn2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride?
The InChIKey is NBPXVKLPVVSKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O.2ClH/c13-11-7-9(14)4-5-12(11)16-8-10-3-1-2-6-15-10;;/h1-7H,8,14H2;2*1H.
What are the key properties of 3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride?
3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride has a molecular weight of 291.15 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride is sourced from PubChem (CID 75530160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).