N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine

C17H18FNO2 — CID 106533367

IUPACN-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine
SMILESCOc1ccc(Oc2cc(F)cc(CNC3CC3)c2)cc1
InChIInChI=1S/C17H18FNO2/c1-20-15-4-6-16(7-5-15)21-17-9-12(8-13(18)10-17)11-19-14-2-3-14/h4-10,14,19H,2-3,11H2,1H3
InChIKeyZISVQNQKFDCJRW-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.88
Rot. Bonds6

About N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine

N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 106533367) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine
PubChem CID106533367
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine
SMILESCOc1ccc(Oc2cc(F)cc(CNC3CC3)c2)cc1
InChIInChI=1S/C17H18FNO2/c1-20-15-4-6-16(7-5-15)21-17-9-12(8-13(18)10-17)11-19-14-2-3-14/h4-10,14,19H,2-3,11H2,1H3
InChIKeyZISVQNQKFDCJRW-UHFFFAOYSA-N
XLogP3.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533424
N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533461
N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533350
N-[[4-(3,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283085
N-[(3-fluoro-5-methoxyphenyl)methyl]thiolan-3-amine
CID 115897442
N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 106533490
N-[[3-fluoro-5-(3-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 106533983
N-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 106533566
N-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 81331912
4-N-[(3,5-dimethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314391
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine
CID 79891880

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine (CID 106533367) is N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine is COc1ccc(Oc2cc(F)cc(CNC3CC3)c2)cc1.
What is the InChIKey of N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is ZISVQNQKFDCJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-20-15-4-6-16(7-5-15)21-17-9-12(8-13(18)10-17)11-19-14-2-3-14/h4-10,14,19H,2-3,11H2,1H3.
What are the key properties of N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine?
N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 287.33 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106533367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).