N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine

C16H15ClFNO — CID 106533350

IUPACN-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)cc(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C16H15ClFNO/c17-12-2-1-3-15(8-12)20-16-7-11(6-13(18)9-16)10-19-14-4-5-14/h1-3,6-9,14,19H,4-5,10H2
InChIKeyFGTOFTDHRATNLA-UHFFFAOYSA-N
MW291.75 g/mol
LogP4.52
Rot. Bonds5

About N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine

N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine (PubChem CID 106533350) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
PubChem CID106533350
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC NameN-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)cc(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C16H15ClFNO/c17-12-2-1-3-15(8-12)20-16-7-11(6-13(18)9-16)10-19-14-4-5-14/h1-3,6-9,14,19H,4-5,10H2
InChIKeyFGTOFTDHRATNLA-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533461
N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533424
N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 106533490
N-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 81331912
[3-(3-chlorophenoxy)-5-fluorophenyl]methanol
CID 106530131
N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine
CID 106533367
N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 63941329
N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62460631
N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 103046371
N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283337
4-[3-[(cyclopropylamino)methyl]phenoxy]aniline
CID 116996638
3-(3-chlorophenoxy)-5-fluoroaniline
CID 80752304

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine (CID 106533350) is N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine is Fc1cc(CNC2CC2)cc(Oc2cccc(Cl)c2)c1.
What is the InChIKey of N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is FGTOFTDHRATNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c17-12-2-1-3-15(8-12)20-16-7-11(6-13(18)9-16)10-19-14-4-5-14/h1-3,6-9,14,19H,4-5,10H2.
What are the key properties of N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine?
N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 291.75 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106533350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).