N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine

C14H19F2NO — CID 55077634

IUPACN-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine
SMILESCC(C)C(CNC1CC1)Oc1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO/c1-9(2)14(8-17-11-4-5-11)18-13-6-3-10(15)7-12(13)16/h3,6-7,9,11,14,17H,4-5,8H2,1-2H3
InChIKeyKTXDBXSXRSEFAE-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.12
Rot. Bonds6

About N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine

N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine (PubChem CID 55077634) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine
PubChem CID55077634
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC NameN-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine
SMILESCC(C)C(CNC1CC1)Oc1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO/c1-9(2)14(8-17-11-4-5-11)18-13-6-3-10(15)7-12(13)16/h3,6-7,9,11,14,17H,4-5,8H2,1-2H3
InChIKeyKTXDBXSXRSEFAE-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-difluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 55167175
2-(2,4-difluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine
CID 62449645
N-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine
CID 62571941
N-[2-(3-chloro-2-fluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 116690396
N-[2-(2-methoxy-4-methylphenoxy)-3-methylbutyl]cyclopropanamine
CID 62451021
N-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine
CID 62485514
N-[2-(2,4-difluorophenyl)sulfanylpropyl]cyclopentanamine
CID 62577788
N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015306
N-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine
CID 62449679
N-[2-(4-bromo-2-fluorophenoxy)propyl]cyclohexanamine
CID 55092968
2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 79017552
N-[2-(2,4-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62450002

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine (CID 55077634) is N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine is CC(C)C(CNC1CC1)Oc1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine?
The InChIKey is KTXDBXSXRSEFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9(2)14(8-17-11-4-5-11)18-13-6-3-10(15)7-12(13)16/h3,6-7,9,11,14,17H,4-5,8H2,1-2H3.
What are the key properties of N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine?
N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine has a molecular weight of 255.31 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 55077634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).