N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine

C13H18FNO2 — CID 80698601

IUPACN-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
SMILESCOc1cccc(CNC2CC2)c1OCCF
InChIInChI=1S/C13H18FNO2/c1-16-12-4-2-3-10(9-15-11-5-6-11)13(12)17-8-7-14/h2-4,11,15H,5-9H2,1H3
InChIKeyBQTTXFOREDTIEZ-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.30
Rot. Bonds7

About N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine

N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine (PubChem CID 80698601) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
PubChem CID80698601
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
SMILESCOc1cccc(CNC2CC2)c1OCCF
InChIInChI=1S/C13H18FNO2/c1-16-12-4-2-3-10(9-15-11-5-6-11)13(12)17-8-7-14/h2-4,11,15H,5-9H2,1H3
InChIKeyBQTTXFOREDTIEZ-UHFFFAOYSA-N
XLogP2.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365555
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-3-methoxypropan-2-ol
CID 63931067
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
1-(chloromethyl)-2-(2-fluoroethoxy)-3-methoxybenzene
CID 80695590
N-[[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43472080
N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine
CID 106436826
1-[2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-2-methylbutan-2-ol
CID 114491757
2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid
CID 102535746
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine
CID 4722443
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294905

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine (CID 80698601) is N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine is COc1cccc(CNC2CC2)c1OCCF.
What is the InChIKey of N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine?
The InChIKey is BQTTXFOREDTIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-12-4-2-3-10(9-15-11-5-6-11)13(12)17-8-7-14/h2-4,11,15H,5-9H2,1H3.
What are the key properties of N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine?
N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine has a molecular weight of 239.29 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 80698601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).