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

C15H22FNO2 — CID 106450602

IUPACN-[[3-fluoro-2-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine
SMILESCCCOCCOc1c(F)cccc1CNC1CC1
InChIInChI=1S/C15H22FNO2/c1-2-8-18-9-10-19-15-12(4-3-5-14(15)16)11-17-13-6-7-13/h3-5,13,17H,2,6-11H2,1H3
InChIKeyUGZDHXRFORSORO-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.88
Rot. Bonds9

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

N-[[3-fluoro-2-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 106450602) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[[3-fluoro-2-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine
PubChem CID106450602
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[[3-fluoro-2-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine
SMILESCCCOCCOc1c(F)cccc1CNC1CC1
InChIInChI=1S/C15H22FNO2/c1-2-8-18-9-10-19-15-12(4-3-5-14(15)16)11-17-13-6-7-13/h3-5,13,17H,2,6-11H2,1H3
InChIKeyUGZDHXRFORSORO-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine
CID 112609819
methyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate
CID 112609795
N-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 115955145
N-[[3-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 115953672
N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953688
3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propane-1,2-diol
CID 112609791
N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112610027
N-[[3-fluoro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953557
N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine
CID 81268990
N-[[3-fluoro-2-(1-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 115953564
N-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953616
N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953673

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-2-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine (CID 106450602) is N-[[3-fluoro-2-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-2-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-2-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine is CCCOCCOc1c(F)cccc1CNC1CC1.
What is the InChIKey of N-[[3-fluoro-2-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is UGZDHXRFORSORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-2-8-18-9-10-19-15-12(4-3-5-14(15)16)11-17-13-6-7-13/h3-5,13,17H,2,6-11H2,1H3.
What are the key properties of N-[[3-fluoro-2-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine?
N-[[3-fluoro-2-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 267.34 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106450602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).