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

C13H18FNO — CID 107170738

IUPACN-[2-(3-fluoro-4-methylphenoxy)propyl]cyclopropanamine
SMILESCc1ccc(OC(C)CNC2CC2)cc1F
InChIInChI=1S/C13H18FNO/c1-9-3-6-12(7-13(9)14)16-10(2)8-15-11-4-5-11/h3,6-7,10-11,15H,4-5,8H2,1-2H3
InChIKeyOCHHECJQYWPZRH-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.65
Rot. Bonds5

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

N-[2-(3-fluoro-4-methylphenoxy)propyl]cyclopropanamine (PubChem CID 107170738) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-methylphenoxy)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-methylphenoxy)propyl]cyclopropanamine
PubChem CID107170738
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-[2-(3-fluoro-4-methylphenoxy)propyl]cyclopropanamine
SMILESCc1ccc(OC(C)CNC2CC2)cc1F
InChIInChI=1S/C13H18FNO/c1-9-3-6-12(7-13(9)14)16-10(2)8-15-11-4-5-11/h3,6-7,10-11,15H,4-5,8H2,1-2H3
InChIKeyOCHHECJQYWPZRH-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.65
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-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine
CID 65201303
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine
CID 102747392
N-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine
CID 62783803
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine
CID 65201068
N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine
CID 62486929
N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
CID 107170950
N-[2-(4-methylphenoxy)propyl]cyclohexanamine
CID 54797714
N-[2-(4-chlorophenoxy)propyl]cyclohexanamine
CID 46736216
N-[2-(2-fluoro-5-methylphenoxy)propyl]cyclohexanamine
CID 64854515
N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine
CID 62597520
N-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine
CID 107170796

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-methylphenoxy)propyl]cyclopropanamine?
The IUPAC name of N-[2-(3-fluoro-4-methylphenoxy)propyl]cyclopropanamine (CID 107170738) is N-[2-(3-fluoro-4-methylphenoxy)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-fluoro-4-methylphenoxy)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-fluoro-4-methylphenoxy)propyl]cyclopropanamine is Cc1ccc(OC(C)CNC2CC2)cc1F.
What is the InChIKey of N-[2-(3-fluoro-4-methylphenoxy)propyl]cyclopropanamine?
The InChIKey is OCHHECJQYWPZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-3-6-12(7-13(9)14)16-10(2)8-15-11-4-5-11/h3,6-7,10-11,15H,4-5,8H2,1-2H3.
What are the key properties of N-[2-(3-fluoro-4-methylphenoxy)propyl]cyclopropanamine?
N-[2-(3-fluoro-4-methylphenoxy)propyl]cyclopropanamine has a molecular weight of 223.29 g/mol, XLogP of 2.65, 5 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)propyl]cyclopropanamine is sourced from PubChem (CID 107170738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).