3-(3-fluoropropoxy)-6-methylpyridin-2-amine

C9H13FN2O — CID 81105677

IUPAC3-(3-fluoropropoxy)-6-methylpyridin-2-amine
SMILESCc1ccc(OCCCF)c(N)n1
InChIInChI=1S/C9H13FN2O/c1-7-3-4-8(9(11)12-7)13-6-2-5-10/h3-4H,2,5-6H2,1H3,(H2,11,12)
InChIKeyNKQUGHDVGNVKAS-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.71
Rot. Bonds4

About 3-(3-fluoropropoxy)-6-methylpyridin-2-amine

3-(3-fluoropropoxy)-6-methylpyridin-2-amine (PubChem CID 81105677) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 3-(3-fluoropropoxy)-6-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(3-fluoropropoxy)-6-methylpyridin-2-amine
PubChem CID81105677
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name3-(3-fluoropropoxy)-6-methylpyridin-2-amine
SMILESCc1ccc(OCCCF)c(N)n1
InChIInChI=1S/C9H13FN2O/c1-7-3-4-8(9(11)12-7)13-6-2-5-10/h3-4H,2,5-6H2,1H3,(H2,11,12)
InChIKeyNKQUGHDVGNVKAS-UHFFFAOYSA-N
XLogP1.71
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(dimethylamino)propoxy]-6-methylpyridin-2-amine
CID 114524613
4-[(2-amino-6-methyl-3-pyridinyl)oxy]butanenitrile
CID 62098645
3-ethoxy-6-methylpyridin-2-amine
CID 54057030
4-[(2-amino-6-methyl-3-pyridinyl)oxy]-N,N-dimethylbutanamide
CID 62100009
3-[(2-amino-6-methyl-3-pyridinyl)oxy]-N,N-dimethylpropanamide
CID 62098307
6-methyl-3-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine
CID 82889348
N-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81106538
6-methyl-3-[(5-methyl-3-pyridinyl)methoxy]pyridin-2-amine
CID 102880225
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 114524856
3-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-amine
CID 62197636
3-[(Z)-3-chloro-2-methylprop-2-enoxy]-6-methylpyridin-2-amine
CID 106436603
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 103174470

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropoxy)-6-methylpyridin-2-amine?
The IUPAC name of 3-(3-fluoropropoxy)-6-methylpyridin-2-amine (CID 81105677) is 3-(3-fluoropropoxy)-6-methylpyridin-2-amine.
What is the SMILES notation for 3-(3-fluoropropoxy)-6-methylpyridin-2-amine?
The canonical SMILES for 3-(3-fluoropropoxy)-6-methylpyridin-2-amine is Cc1ccc(OCCCF)c(N)n1.
What is the InChIKey of 3-(3-fluoropropoxy)-6-methylpyridin-2-amine?
The InChIKey is NKQUGHDVGNVKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-7-3-4-8(9(11)12-7)13-6-2-5-10/h3-4H,2,5-6H2,1H3,(H2,11,12).
What are the key properties of 3-(3-fluoropropoxy)-6-methylpyridin-2-amine?
3-(3-fluoropropoxy)-6-methylpyridin-2-amine has a molecular weight of 184.21 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropoxy)-6-methylpyridin-2-amine is sourced from PubChem (CID 81105677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).