N-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine

C18H20FNO — CID 115953564

IUPACN-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine
SMILESCC(Oc1c(F)cccc1CNC1CC1)c1ccccc1
InChIInChI=1S/C18H20FNO/c1-13(14-6-3-2-4-7-14)21-18-15(8-5-9-17(18)19)12-20-16-10-11-16/h2-9,13,16,20H,10-12H2,1H3
InChIKeyIWCPADRNFIKWKJ-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.22
Rot. Bonds6

About N-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine

N-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 115953564) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine
PubChem CID115953564
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine
SMILESCC(Oc1c(F)cccc1CNC1CC1)c1ccccc1
InChIInChI=1S/C18H20FNO/c1-13(14-6-3-2-4-7-14)21-18-15(8-5-9-17(18)19)12-20-16-10-11-16/h2-9,13,16,20H,10-12H2,1H3
InChIKeyIWCPADRNFIKWKJ-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62291950
N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine
CID 112609819
N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953688
N-[[6-(1-phenylethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62292133
3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propane-1,2-diol
CID 112609791
N-[[3-fluoro-2-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine
CID 106450602
N-[[3-fluoro-2-(oxan-4-yloxy)phenyl]methyl]cyclopropanamine
CID 112609785
N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine
CID 81269605
methyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate
CID 112609795
N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 63806637
N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 43425026
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine (CID 115953564) is N-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine is CC(Oc1c(F)cccc1CNC1CC1)c1ccccc1.
What is the InChIKey of N-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is IWCPADRNFIKWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-13(14-6-3-2-4-7-14)21-18-15(8-5-9-17(18)19)12-20-16-10-11-16/h2-9,13,16,20H,10-12H2,1H3.
What are the key properties of N-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine?
N-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 285.36 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 115953564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).