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

C19H23FN2O — CID 54586720

IUPACN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclohexanamine
SMILESCOc1cc(F)ccc1-c1cncc(CNC2CCCCC2)c1
InChIInChI=1S/C19H23FN2O/c1-23-19-10-16(20)7-8-18(19)15-9-14(11-21-13-15)12-22-17-5-3-2-4-6-17/h7-11,13,17,22H,2-6,12H2,1H3
InChIKeyHUYAYYNMFWAVOZ-UHFFFAOYSA-N
MW314.40 g/mol
LogP4.32
Rot. Bonds5

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

N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclohexanamine (PubChem CID 54586720) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclohexanamine
PubChem CID54586720
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC NameN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclohexanamine
SMILESCOc1cc(F)ccc1-c1cncc(CNC2CCCCC2)c1
InChIInChI=1S/C19H23FN2O/c1-23-19-10-16(20)7-8-18(19)15-9-14(11-21-13-15)12-22-17-5-3-2-4-6-17/h7-11,13,17,22H,2-6,12H2,1H3
InChIKeyHUYAYYNMFWAVOZ-UHFFFAOYSA-N
XLogP4.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclohexanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclohexanamine?
The IUPAC name of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclohexanamine (CID 54586720) is N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclohexanamine?
The canonical SMILES for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclohexanamine is COc1cc(F)ccc1-c1cncc(CNC2CCCCC2)c1.
What is the InChIKey of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclohexanamine?
The InChIKey is HUYAYYNMFWAVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-23-19-10-16(20)7-8-18(19)15-9-14(11-21-13-15)12-22-17-5-3-2-4-6-17/h7-11,13,17,22H,2-6,12H2,1H3.
What are the key properties of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclohexanamine?
N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclohexanamine has a molecular weight of 314.40 g/mol, XLogP of 4.32, 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]cyclohexanamine is sourced from PubChem (CID 54586720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).