N-[2-(3-fluorophenoxy)-2-phenylethyl]cyclopropanamine

C17H18FNO — CID 62458340

IUPACN-[2-(3-fluorophenoxy)-2-phenylethyl]cyclopropanamine
SMILESFc1cccc(OC(CNC2CC2)c2ccccc2)c1
InChIInChI=1S/C17H18FNO/c18-14-7-4-8-16(11-14)20-17(12-19-15-9-10-15)13-5-2-1-3-6-13/h1-8,11,15,17,19H,9-10,12H2
InChIKeyNPSZWZNHOBAISP-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.70
Rot. Bonds6

About N-[2-(3-fluorophenoxy)-2-phenylethyl]cyclopropanamine

N-[2-(3-fluorophenoxy)-2-phenylethyl]cyclopropanamine (PubChem CID 62458340) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)-2-phenylethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)-2-phenylethyl]cyclopropanamine
PubChem CID62458340
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-[2-(3-fluorophenoxy)-2-phenylethyl]cyclopropanamine
SMILESFc1cccc(OC(CNC2CC2)c2ccccc2)c1
InChIInChI=1S/C17H18FNO/c18-14-7-4-8-16(11-14)20-17(12-19-15-9-10-15)13-5-2-1-3-6-13/h1-8,11,15,17,19H,9-10,12H2
InChIKeyNPSZWZNHOBAISP-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluoro-4-methylphenoxy)-2-phenylethyl]cyclopropanamine
CID 107170780
N-[2-(3-fluorophenoxy)pentyl]cyclopropanamine
CID 83043805
N-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine
CID 62106068
N-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine
CID 66321628
N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 117242573
N-[2-(3-fluorophenyl)-2-pentan-2-yloxyethyl]cyclopropanamine
CID 102984848
N-[2-(2-ethylphenoxy)-2-phenylethyl]cyclopropanamine
CID 62485001
N-[2-(3-fluorophenoxy)ethyl]cyclopropanamine
CID 29015732
N-[2-phenyl-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine
CID 82959482
N-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine
CID 63497564
N-[2-(4-chloro-2-methylphenoxy)-2-phenylethyl]cyclopropanamine
CID 62458732
N-(2-pentoxy-2-phenylethyl)cyclopropanamine
CID 55036631

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)-2-phenylethyl]cyclopropanamine?
The IUPAC name of N-[2-(3-fluorophenoxy)-2-phenylethyl]cyclopropanamine (CID 62458340) is N-[2-(3-fluorophenoxy)-2-phenylethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-fluorophenoxy)-2-phenylethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-fluorophenoxy)-2-phenylethyl]cyclopropanamine is Fc1cccc(OC(CNC2CC2)c2ccccc2)c1.
What is the InChIKey of N-[2-(3-fluorophenoxy)-2-phenylethyl]cyclopropanamine?
The InChIKey is NPSZWZNHOBAISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c18-14-7-4-8-16(11-14)20-17(12-19-15-9-10-15)13-5-2-1-3-6-13/h1-8,11,15,17,19H,9-10,12H2.
What are the key properties of N-[2-(3-fluorophenoxy)-2-phenylethyl]cyclopropanamine?
N-[2-(3-fluorophenoxy)-2-phenylethyl]cyclopropanamine has a molecular weight of 271.34 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)-2-phenylethyl]cyclopropanamine is sourced from PubChem (CID 62458340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).