N-[[5-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]methyl]cyclopropanamine

C17H19FN2O — CID 107696406

IUPACN-[[5-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]methyl]cyclopropanamine
SMILESFc1ccc(OCCc2cccnc2)c(CNC2CC2)c1
InChIInChI=1S/C17H19FN2O/c18-15-3-6-17(14(10-15)12-20-16-4-5-16)21-9-7-13-2-1-8-19-11-13/h1-3,6,8,10-11,16,20H,4-5,7,9,12H2
InChIKeyILYXREJUXBHHTQ-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.09
Rot. Bonds7

About N-[[5-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]methyl]cyclopropanamine

N-[[5-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 107696406) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[[5-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]methyl]cyclopropanamine
PubChem CID107696406
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[[5-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]methyl]cyclopropanamine
SMILESFc1ccc(OCCc2cccnc2)c(CNC2CC2)c1
InChIInChI=1S/C17H19FN2O/c18-15-3-6-17(14(10-15)12-20-16-4-5-16)21-9-7-13-2-1-8-19-11-13/h1-3,6,8,10-11,16,20H,4-5,7,9,12H2
InChIKeyILYXREJUXBHHTQ-UHFFFAOYSA-N
XLogP3.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 107696508
3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide
CID 107696299
N-[[5-fluoro-2-[2-(trifluoromethoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 107696269
5-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]pentanenitrile
CID 107696379
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
3-[2-[4-bromo-2-(chloromethyl)phenoxy]ethyl]pyridine
CID 55167870
N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696313
4-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-2,2-dimethylbutanenitrile
CID 107696474
N-[[3-(2-chloro-4-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075129
N-[[4-(2-pyridin-2-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81255155
N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine
CID 60913065
2-chloro-3-(2-pyridin-3-ylethoxy)pyridine
CID 65102137

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]methyl]cyclopropanamine (CID 107696406) is N-[[5-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]methyl]cyclopropanamine is Fc1ccc(OCCc2cccnc2)c(CNC2CC2)c1.
What is the InChIKey of N-[[5-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is ILYXREJUXBHHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c18-15-3-6-17(14(10-15)12-20-16-4-5-16)21-9-7-13-2-1-8-19-11-13/h1-3,6,8,10-11,16,20H,4-5,7,9,12H2.
What are the key properties of N-[[5-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]methyl]cyclopropanamine?
N-[[5-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 286.35 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107696406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).