N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopentanamine

C18H21FN2O — CID 53248849

IUPACN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopentanamine
SMILESCOc1cc(F)ccc1-c1cncc(CNC2CCCC2)c1
InChIInChI=1S/C18H21FN2O/c1-22-18-9-15(19)6-7-17(18)14-8-13(10-20-12-14)11-21-16-4-2-3-5-16/h6-10,12,16,21H,2-5,11H2,1H3
InChIKeyCKMRXGUDSNAKMN-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.93
Rot. Bonds5

About N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopentanamine

N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopentanamine (PubChem CID 53248849) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopentanamine
PubChem CID53248849
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC NameN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopentanamine
SMILESCOc1cc(F)ccc1-c1cncc(CNC2CCCC2)c1
InChIInChI=1S/C18H21FN2O/c1-22-18-9-15(19)6-7-17(18)14-8-13(10-20-12-14)11-21-16-4-2-3-5-16/h6-10,12,16,21H,2-5,11H2,1H3
InChIKeyCKMRXGUDSNAKMN-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-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopentanamine?
The IUPAC name of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopentanamine (CID 53248849) is N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopentanamine?
The canonical SMILES for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopentanamine is COc1cc(F)ccc1-c1cncc(CNC2CCCC2)c1.
What is the InChIKey of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopentanamine?
The InChIKey is CKMRXGUDSNAKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-22-18-9-15(19)6-7-17(18)14-8-13(10-20-12-14)11-21-16-4-2-3-5-16/h6-10,12,16,21H,2-5,11H2,1H3.
What are the key properties of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopentanamine?
N-[[5-(4-fluoro-2-methoxyphenyl)-3-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-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopentanamine is sourced from PubChem (CID 53248849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).