N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine

C18H20FNO — CID 43314359

IUPACN-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
SMILESCCc1ccccc1Oc1ccc(F)cc1CNC1CC1
InChIInChI=1S/C18H20FNO/c1-2-13-5-3-4-6-17(13)21-18-10-7-15(19)11-14(18)12-20-16-8-9-16/h3-7,10-11,16,20H,2,8-9,12H2,1H3
InChIKeyVDBOFCNJKBLEFU-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.43
Rot. Bonds6

About N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine

N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine (PubChem CID 43314359) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
PubChem CID43314359
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
SMILESCCc1ccccc1Oc1ccc(F)cc1CNC1CC1
InChIInChI=1S/C18H20FNO/c1-2-13-5-3-4-6-17(13)21-18-10-7-15(19)11-14(18)12-20-16-8-9-16/h3-7,10-11,16,20H,2,8-9,12H2,1H3
InChIKeyVDBOFCNJKBLEFU-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2-ethylphenoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 63550904
N-[[2-(2-bromo-4-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314299
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 43314361
N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283337
N-[[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 114674394
N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659667
N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282262
N-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314070
N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 107696508
ethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate
CID 107696451
3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide
CID 107696299
N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 102615167

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine (CID 43314359) is N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine is CCc1ccccc1Oc1ccc(F)cc1CNC1CC1.
What is the InChIKey of N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is VDBOFCNJKBLEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-2-13-5-3-4-6-17(13)21-18-10-7-15(19)11-14(18)12-20-16-8-9-16/h3-7,10-11,16,20H,2,8-9,12H2,1H3.
What are the key properties of N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine?
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 285.36 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43314359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).