N-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine

C20H25F2N3O — CID 16677873

IUPACN-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESFc1ccc(F)c(CN(CCCN2CCOCC2)Cc2cccnc2)c1
InChIInChI=1S/C20H25F2N3O/c21-19-4-5-20(22)18(13-19)16-25(15-17-3-1-6-23-14-17)8-2-7-24-9-11-26-12-10-24/h1,3-6,13-14H,2,7-12,15-16H2
InChIKeyLIUKNUSGOXITTD-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.08
Rot. Bonds8

About N-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine

N-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine (PubChem CID 16677873) has the molecular formula C20H25F2N3O and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine
PubChem CID16677873
Molecular FormulaC20H25F2N3O
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESFc1ccc(F)c(CN(CCCN2CCOCC2)Cc2cccnc2)c1
InChIInChI=1S/C20H25F2N3O/c21-19-4-5-20(22)18(13-19)16-25(15-17-3-1-6-23-14-17)8-2-7-24-9-11-26-12-10-24/h1,3-6,13-14H,2,7-12,15-16H2
InChIKeyLIUKNUSGOXITTD-UHFFFAOYSA-N
XLogP3.08
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine 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-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine (CID 16677873) is N-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine is Fc1ccc(F)c(CN(CCCN2CCOCC2)Cc2cccnc2)c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is LIUKNUSGOXITTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O/c21-19-4-5-20(22)18(13-19)16-25(15-17-3-1-6-23-14-17)8-2-7-24-9-11-26-12-10-24/h1,3-6,13-14H,2,7-12,15-16H2.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine?
N-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 361.44 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 16677873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).