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

C20H25F2N3O — CID 16677858

IUPACN-[(3,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESFc1cc(F)cc(CN(CCCN2CCOCC2)Cc2cccnc2)c1
InChIInChI=1S/C20H25F2N3O/c21-19-11-18(12-20(22)13-19)16-25(15-17-3-1-4-23-14-17)6-2-5-24-7-9-26-10-8-24/h1,3-4,11-14H,2,5-10,15-16H2
InChIKeyACVZAVKHHOREQL-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.08
Rot. Bonds8

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

N-[(3,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine (PubChem CID 16677858) has the molecular formula C20H25F2N3O and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine
PubChem CID16677858
Molecular FormulaC20H25F2N3O
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-[(3,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESFc1cc(F)cc(CN(CCCN2CCOCC2)Cc2cccnc2)c1
InChIInChI=1S/C20H25F2N3O/c21-19-11-18(12-20(22)13-19)16-25(15-17-3-1-4-23-14-17)6-2-5-24-7-9-26-10-8-24/h1,3-4,11-14H,2,5-10,15-16H2
InChIKeyACVZAVKHHOREQL-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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Related Compounds

4-[[3-morpholin-4-ylpropyl(pyridin-3-ylmethyl)amino]methyl]phenol
CID 46961418
2-morpholin-4-yl-N-(pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43817948
N-[[1-(3-fluorophenyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 46953713
3-(2-fluorophenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea
CID 4319541
N-[(2-methoxy-5-phenylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 46961440
2-[[(3-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42834765
N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 46953709
N-[[1-(3-methyl-2-pyridinyl)pyrrol-2-yl]methyl]-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 46961442
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
1-benzyl-1-(3-morpholin-4-ylpropyl)-3-pyridin-3-ylthiourea
CID 17370493
3-(3,5-dimethylphenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea
CID 17371007
1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 127566290

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine (CID 16677858) is N-[(3,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine is Fc1cc(F)cc(CN(CCCN2CCOCC2)Cc2cccnc2)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is ACVZAVKHHOREQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O/c21-19-11-18(12-20(22)13-19)16-25(15-17-3-1-4-23-14-17)6-2-5-24-7-9-26-10-8-24/h1,3-4,11-14H,2,5-10,15-16H2.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine?
N-[(3,5-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-[(3,5-difluorophenyl)methyl]-3-morpholin-4-yl-N-(pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 16677858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).