N-[[3-(2-chloro-4-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine

C15H14ClFN2O — CID 105075129

IUPACN-[[3-(2-chloro-4-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESFc1ccc(Oc2cnccc2CNC2CC2)c(Cl)c1
InChIInChI=1S/C15H14ClFN2O/c16-13-7-11(17)1-4-14(13)20-15-9-18-6-5-10(15)8-19-12-2-3-12/h1,4-7,9,12,19H,2-3,8H2
InChIKeyJHIRRRSGVDGHQO-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.92
Rot. Bonds5

About N-[[3-(2-chloro-4-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine

N-[[3-(2-chloro-4-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 105075129) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is N-[[3-(2-chloro-4-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-chloro-4-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID105075129
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC NameN-[[3-(2-chloro-4-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESFc1ccc(Oc2cnccc2CNC2CC2)c(Cl)c1
InChIInChI=1S/C15H14ClFN2O/c16-13-7-11(17)1-4-14(13)20-15-9-18-6-5-10(15)8-19-12-2-3-12/h1,4-7,9,12,19H,2-3,8H2
InChIKeyJHIRRRSGVDGHQO-UHFFFAOYSA-N
XLogP3.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075410
N-[[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075896
N-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075531
N-[[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075967
N-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075090
N-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62452280
N-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857647
N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine
CID 105074850
N-[[2-(2,4-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105391070
N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283337
N-[[5-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]methyl]cyclopropanamine
CID 107696406
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314359

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chloro-4-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-chloro-4-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine (CID 105075129) is N-[[3-(2-chloro-4-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-chloro-4-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-chloro-4-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine is Fc1ccc(Oc2cnccc2CNC2CC2)c(Cl)c1.
What is the InChIKey of N-[[3-(2-chloro-4-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is JHIRRRSGVDGHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-13-7-11(17)1-4-14(13)20-15-9-18-6-5-10(15)8-19-12-2-3-12/h1,4-7,9,12,19H,2-3,8H2.
What are the key properties of N-[[3-(2-chloro-4-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine?
N-[[3-(2-chloro-4-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 292.74 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chloro-4-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105075129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).