3-fluoro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-amine

C14H21FN2O — CID 112565621

IUPAC3-fluoro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-amine
SMILESCOc1c(C)cnc(CC2(F)CCC(N)C2)c1C
InChIInChI=1S/C14H21FN2O/c1-9-8-17-12(10(2)13(9)18-3)7-14(15)5-4-11(16)6-14/h8,11H,4-7,16H2,1-3H3
InChIKeyTUCNBZCBQWGWAU-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.47
Rot. Bonds3

About 3-fluoro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-amine

3-fluoro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-amine (PubChem CID 112565621) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-fluoro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-amine
PubChem CID112565621
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-fluoro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-amine
SMILESCOc1c(C)cnc(CC2(F)CCC(N)C2)c1C
InChIInChI=1S/C14H21FN2O/c1-9-8-17-12(10(2)13(9)18-3)7-14(15)5-4-11(16)6-14/h8,11H,4-7,16H2,1-3H3
InChIKeyTUCNBZCBQWGWAU-UHFFFAOYSA-N
XLogP2.47
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-fluoro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-amine (CID 112565621) is 3-fluoro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-fluoro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-fluoro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-amine is COc1c(C)cnc(CC2(F)CCC(N)C2)c1C.
What is the InChIKey of 3-fluoro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-amine?
The InChIKey is TUCNBZCBQWGWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9-8-17-12(10(2)13(9)18-3)7-14(15)5-4-11(16)6-14/h8,11H,4-7,16H2,1-3H3.
What are the key properties of 3-fluoro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-amine?
3-fluoro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-amine has a molecular weight of 252.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 112565621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).