N-[[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine

C16H17FN2O — CID 81250250

IUPACN-[[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
SMILESFc1ccccc1COc1ccncc1CNC1CC1
InChIInChI=1S/C16H17FN2O/c17-15-4-2-1-3-12(15)11-20-16-7-8-18-9-13(16)10-19-14-5-6-14/h1-4,7-9,14,19H,5-6,10-11H2
InChIKeyAARBPFKJACFBPU-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.05
Rot. Bonds6

About N-[[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine

N-[[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 81250250) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
PubChem CID81250250
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
SMILESFc1ccccc1COc1ccncc1CNC1CC1
InChIInChI=1S/C16H17FN2O/c17-15-4-2-1-3-12(15)11-20-16-7-8-18-9-13(16)10-19-14-5-6-14/h1-4,7-9,14,19H,5-6,10-11H2
InChIKeyAARBPFKJACFBPU-UHFFFAOYSA-N
XLogP3.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]-N-methylmethanamine
CID 81251244
3-(chloromethyl)-4-[(2-fluorophenyl)methoxy]pyridine
CID 81235169
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 2950069
N-[[4-(2-pyridin-2-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81255155
3-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81249517
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]cyclopropanamine
CID 4721070
N-[[4-(2-ethoxyethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253710
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine
CID 81250789
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
N-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103405852
N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 102615167

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine (CID 81250250) is N-[[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine is Fc1ccccc1COc1ccncc1CNC1CC1.
What is the InChIKey of N-[[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is AARBPFKJACFBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-15-4-2-1-3-12(15)11-20-16-7-8-18-9-13(16)10-19-14-5-6-14/h1-4,7-9,14,19H,5-6,10-11H2.
What are the key properties of N-[[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine?
N-[[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 272.32 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 81250250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).