N-[[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine

C16H17FN2O — CID 62072927

IUPACN-[[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
SMILESCc1ccc(Oc2ccc(CNC3CC3)cc2F)cn1
InChIInChI=1S/C16H17FN2O/c1-11-2-6-14(10-18-11)20-16-7-3-12(8-15(16)17)9-19-13-4-5-13/h2-3,6-8,10,13,19H,4-5,9H2,1H3
InChIKeyUFEOGKPJATZNDM-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.57
Rot. Bonds5

About N-[[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine

N-[[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine (PubChem CID 62072927) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
PubChem CID62072927
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
SMILESCc1ccc(Oc2ccc(CNC3CC3)cc2F)cn1
InChIInChI=1S/C16H17FN2O/c1-11-2-6-14(10-18-11)20-16-7-3-12(8-15(16)17)9-19-13-4-5-13/h2-3,6-8,10,13,19H,4-5,9H2,1H3
InChIKeyUFEOGKPJATZNDM-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]cyclopropanamine
CID 43283717
N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283164
N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine
CID 43283191
[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol
CID 62074951
N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 64601004
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659574
N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine
CID 43283686
N-[[4-(2-ethylbutoxy)-3-fluorophenyl]methyl]cyclopropanamine
CID 107688315
N-methyl-1-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 62123861
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 107688044
N-[[4-(4-chlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81251064

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine (CID 62072927) is N-[[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine is Cc1ccc(Oc2ccc(CNC3CC3)cc2F)cn1.
What is the InChIKey of N-[[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine?
The InChIKey is UFEOGKPJATZNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-2-6-14(10-18-11)20-16-7-3-12(8-15(16)17)9-19-13-4-5-13/h2-3,6-8,10,13,19H,4-5,9H2,1H3.
What are the key properties of N-[[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine?
N-[[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine has a molecular weight of 272.32 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62072927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).