(5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine

C13H19FN2O — CID 83824626

IUPAC(5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine
SMILESCOc1ccc(F)cc1C(N)C1CCN(C)C1
InChIInChI=1S/C13H19FN2O/c1-16-6-5-9(8-16)13(15)11-7-10(14)3-4-12(11)17-2/h3-4,7,9,13H,5-6,8,15H2,1-2H3
InChIKeyKCLIIICCYCLSOP-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.79
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine

(5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine (PubChem CID 83824626) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine
PubChem CID83824626
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name(5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine
SMILESCOc1ccc(F)cc1C(N)C1CCN(C)C1
InChIInChI=1S/C13H19FN2O/c1-16-6-5-9(8-16)13(15)11-7-10(14)3-4-12(11)17-2/h3-4,7,9,13H,5-6,8,15H2,1-2H3
InChIKeyKCLIIICCYCLSOP-UHFFFAOYSA-N
XLogP1.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442
(3-ethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 82770138
4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
CID 116941932
(5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 82769188
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
(5-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107177071
2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83154876
(S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171224902
2-[amino-(1-methylpyrrolidin-3-yl)methyl]phenol
CID 105459188
2-[4-[2-amino-1-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-1-yl]ethanol
CID 83974799
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 66394751
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine (CID 83824626) is (5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine is COc1ccc(F)cc1C(N)C1CCN(C)C1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine?
The InChIKey is KCLIIICCYCLSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-16-6-5-9(8-16)13(15)11-7-10(14)3-4-12(11)17-2/h3-4,7,9,13H,5-6,8,15H2,1-2H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine?
(5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine has a molecular weight of 238.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 83824626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).