N-[[6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]cyclopentanamine

C18H21FN2O — CID 54581904

IUPACN-[[6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]cyclopentanamine
SMILESCOc1cc(F)ccc1-c1cccc(CNC2CCCC2)n1
InChIInChI=1S/C18H21FN2O/c1-22-18-11-13(19)9-10-16(18)17-8-4-7-15(21-17)12-20-14-5-2-3-6-14/h4,7-11,14,20H,2-3,5-6,12H2,1H3
InChIKeyBIHYIXDPXAATSU-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.93
Rot. Bonds5

About N-[[6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]cyclopentanamine

N-[[6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]cyclopentanamine (PubChem CID 54581904) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[[6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]cyclopentanamine
PubChem CID54581904
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC NameN-[[6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]cyclopentanamine
SMILESCOc1cc(F)ccc1-c1cccc(CNC2CCCC2)n1
InChIInChI=1S/C18H21FN2O/c1-22-18-11-13(19)9-10-16(18)17-8-4-7-15(21-17)12-20-14-5-2-3-6-14/h4,7-11,14,20H,2-3,5-6,12H2,1H3
InChIKeyBIHYIXDPXAATSU-UHFFFAOYSA-N
XLogP3.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]cyclopentanamine?
The IUPAC name of N-[[6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]cyclopentanamine (CID 54581904) is N-[[6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]cyclopentanamine?
The canonical SMILES for N-[[6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]cyclopentanamine is COc1cc(F)ccc1-c1cccc(CNC2CCCC2)n1.
What is the InChIKey of N-[[6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]cyclopentanamine?
The InChIKey is BIHYIXDPXAATSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-22-18-11-13(19)9-10-16(18)17-8-4-7-15(21-17)12-20-14-5-2-3-6-14/h4,7-11,14,20H,2-3,5-6,12H2,1H3.
What are the key properties of N-[[6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]cyclopentanamine?
N-[[6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]cyclopentanamine has a molecular weight of 300.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]methyl]cyclopentanamine is sourced from PubChem (CID 54581904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).