N-[2-(3-fluoro-4-methylphenoxy)-2-phenylethyl]cyclopropanamine

C18H20FNO — CID 107170780

IUPACN-[2-(3-fluoro-4-methylphenoxy)-2-phenylethyl]cyclopropanamine
SMILESCc1ccc(OC(CNC2CC2)c2ccccc2)cc1F
InChIInChI=1S/C18H20FNO/c1-13-7-10-16(11-17(13)19)21-18(12-20-15-8-9-15)14-5-3-2-4-6-14/h2-7,10-11,15,18,20H,8-9,12H2,1H3
InChIKeyYXHIAPFRRGWDDE-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.01
Rot. Bonds6

About N-[2-(3-fluoro-4-methylphenoxy)-2-phenylethyl]cyclopropanamine

N-[2-(3-fluoro-4-methylphenoxy)-2-phenylethyl]cyclopropanamine (PubChem CID 107170780) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-methylphenoxy)-2-phenylethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-methylphenoxy)-2-phenylethyl]cyclopropanamine
PubChem CID107170780
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-[2-(3-fluoro-4-methylphenoxy)-2-phenylethyl]cyclopropanamine
SMILESCc1ccc(OC(CNC2CC2)c2ccccc2)cc1F
InChIInChI=1S/C18H20FNO/c1-13-7-10-16(11-17(13)19)21-18(12-20-15-8-9-15)14-5-3-2-4-6-14/h2-7,10-11,15,18,20H,8-9,12H2,1H3
InChIKeyYXHIAPFRRGWDDE-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-methylphenoxy)-2-phenylethyl]cyclopropanamine?
The IUPAC name of N-[2-(3-fluoro-4-methylphenoxy)-2-phenylethyl]cyclopropanamine (CID 107170780) is N-[2-(3-fluoro-4-methylphenoxy)-2-phenylethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-fluoro-4-methylphenoxy)-2-phenylethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-fluoro-4-methylphenoxy)-2-phenylethyl]cyclopropanamine is Cc1ccc(OC(CNC2CC2)c2ccccc2)cc1F.
What is the InChIKey of N-[2-(3-fluoro-4-methylphenoxy)-2-phenylethyl]cyclopropanamine?
The InChIKey is YXHIAPFRRGWDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-13-7-10-16(11-17(13)19)21-18(12-20-15-8-9-15)14-5-3-2-4-6-14/h2-7,10-11,15,18,20H,8-9,12H2,1H3.
What are the key properties of N-[2-(3-fluoro-4-methylphenoxy)-2-phenylethyl]cyclopropanamine?
N-[2-(3-fluoro-4-methylphenoxy)-2-phenylethyl]cyclopropanamine has a molecular weight of 285.36 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-methylphenoxy)-2-phenylethyl]cyclopropanamine is sourced from PubChem (CID 107170780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).