N-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]cyclopropanamine

C15H22FNO3S — CID 106722555

IUPACN-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]cyclopropanamine
SMILESCC(C)S(=O)(=O)CCOc1cc(F)cc(CNC2CC2)c1
InChIInChI=1S/C15H22FNO3S/c1-11(2)21(18,19)6-5-20-15-8-12(7-13(16)9-15)10-17-14-3-4-14/h7-9,11,14,17H,3-6,10H2,1-2H3
InChIKeyRVILJZURFJVNOO-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.28
Rot. Bonds8

About N-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]cyclopropanamine

N-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 106722555) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is N-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]cyclopropanamine
PubChem CID106722555
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC NameN-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]cyclopropanamine
SMILESCC(C)S(=O)(=O)CCOc1cc(F)cc(CNC2CC2)c1
InChIInChI=1S/C15H22FNO3S/c1-11(2)21(18,19)6-5-20-15-8-12(7-13(16)9-15)10-17-14-3-4-14/h7-9,11,14,17H,3-6,10H2,1-2H3
InChIKeyRVILJZURFJVNOO-UHFFFAOYSA-N
XLogP2.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-1-amine
CID 106722559
[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methanol
CID 106726358
N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]cyclopropanamine
CID 107006334
N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 43807424
1-[3-(2-tert-butylsulfonylethoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106722549
N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine
CID 106533367
N-[(3-butan-2-ylsulfanyl-5-fluorophenyl)methyl]cyclopropanamine
CID 106533935
N-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 106533566
3-[(cyclopropylamino)methyl]-5-fluoro-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 106532922
N-[2-(3,5-difluorophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 62784905
1-(chloromethyl)-3-fluoro-5-(2-propylsulfonylethoxy)benzene
CID 106726635
N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533424

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]cyclopropanamine (CID 106722555) is N-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]cyclopropanamine is CC(C)S(=O)(=O)CCOc1cc(F)cc(CNC2CC2)c1.
What is the InChIKey of N-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is RVILJZURFJVNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3S/c1-11(2)21(18,19)6-5-20-15-8-12(7-13(16)9-15)10-17-14-3-4-14/h7-9,11,14,17H,3-6,10H2,1-2H3.
What are the key properties of N-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]cyclopropanamine?
N-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 315.41 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106722555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).