N-[2-(3-chloro-2-fluorophenoxy)-3-methylbutyl]cyclopropanamine

C14H19ClFNO — CID 116690396

IUPACN-[2-(3-chloro-2-fluorophenoxy)-3-methylbutyl]cyclopropanamine
SMILESCC(C)C(CNC1CC1)Oc1cccc(Cl)c1F
InChIInChI=1S/C14H19ClFNO/c1-9(2)13(8-17-10-6-7-10)18-12-5-3-4-11(15)14(12)16/h3-5,9-10,13,17H,6-8H2,1-2H3
InChIKeyFCARROIWAXZFCU-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.63
Rot. Bonds6

About N-[2-(3-chloro-2-fluorophenoxy)-3-methylbutyl]cyclopropanamine

N-[2-(3-chloro-2-fluorophenoxy)-3-methylbutyl]cyclopropanamine (PubChem CID 116690396) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is N-[2-(3-chloro-2-fluorophenoxy)-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-chloro-2-fluorophenoxy)-3-methylbutyl]cyclopropanamine
PubChem CID116690396
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC NameN-[2-(3-chloro-2-fluorophenoxy)-3-methylbutyl]cyclopropanamine
SMILESCC(C)C(CNC1CC1)Oc1cccc(Cl)c1F
InChIInChI=1S/C14H19ClFNO/c1-9(2)13(8-17-10-6-7-10)18-12-5-3-4-11(15)14(12)16/h3-5,9-10,13,17H,6-8H2,1-2H3
InChIKeyFCARROIWAXZFCU-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 55077634
N-[2-(2,5-difluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 55167175
N-[2-(2-chloro-5-methylphenoxy)-3-methylbutyl]cyclopropanamine
CID 62485514
N-[4-(3-chloro-2-fluorophenoxy)butyl]cyclopropanamine
CID 116690398
N-[3-(2-chlorophenoxy)-2-methylpropyl]cyclopropanamine
CID 62454591
N-[2-(2,3-dichlorophenoxy)propyl]cyclopentanamine
CID 62599040
N-[2-(2-methoxy-4-methylphenoxy)-3-methylbutyl]cyclopropanamine
CID 62451021
N-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
CID 102858662
N-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine
CID 62449679
N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 116689598
N-[4-(2,6-dichlorophenyl)-2-methylbutyl]cyclopropanamine
CID 64663727
4-(3-chloro-2-fluorophenoxy)pentan-2-one
CID 116689446

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-fluorophenoxy)-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-(3-chloro-2-fluorophenoxy)-3-methylbutyl]cyclopropanamine (CID 116690396) is N-[2-(3-chloro-2-fluorophenoxy)-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-chloro-2-fluorophenoxy)-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-chloro-2-fluorophenoxy)-3-methylbutyl]cyclopropanamine is CC(C)C(CNC1CC1)Oc1cccc(Cl)c1F.
What is the InChIKey of N-[2-(3-chloro-2-fluorophenoxy)-3-methylbutyl]cyclopropanamine?
The InChIKey is FCARROIWAXZFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-9(2)13(8-17-10-6-7-10)18-12-5-3-4-11(15)14(12)16/h3-5,9-10,13,17H,6-8H2,1-2H3.
What are the key properties of N-[2-(3-chloro-2-fluorophenoxy)-3-methylbutyl]cyclopropanamine?
N-[2-(3-chloro-2-fluorophenoxy)-3-methylbutyl]cyclopropanamine has a molecular weight of 271.76 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-2-fluorophenoxy)-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 116690396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).