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

C20H25F2N3O — CID 16671996

IUPACN-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESFc1ccc(F)c(CN(CCCN2CCOCC2)Cc2ccncc2)c1
InChIInChI=1S/C20H25F2N3O/c21-19-2-3-20(22)18(14-19)16-25(15-17-4-6-23-7-5-17)9-1-8-24-10-12-26-13-11-24/h2-7,14H,1,8-13,15-16H2
InChIKeyYUMVTGGPKWLPNI-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.08
Rot. Bonds8

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

N-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine (PubChem CID 16671996) 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-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine
PubChem CID16671996
Molecular FormulaC20H25F2N3O
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESFc1ccc(F)c(CN(CCCN2CCOCC2)Cc2ccncc2)c1
InChIInChI=1S/C20H25F2N3O/c21-19-2-3-20(22)18(14-19)16-25(15-17-4-6-23-7-5-17)9-1-8-24-10-12-26-13-11-24/h2-7,14H,1,8-13,15-16H2
InChIKeyYUMVTGGPKWLPNI-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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine (CID 16671996) is N-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine is Fc1ccc(F)c(CN(CCCN2CCOCC2)Cc2ccncc2)c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine?
The InChIKey is YUMVTGGPKWLPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O/c21-19-2-3-20(22)18(14-19)16-25(15-17-4-6-23-7-5-17)9-1-8-24-10-12-26-13-11-24/h2-7,14H,1,8-13,15-16H2.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine?
N-[(2,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-4-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-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 16671996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).