1-[4-fluoro-3-(methoxymethyl)phenyl]cyclopropan-1-amine

C11H14FNO — CID 117285367

IUPAC1-[4-fluoro-3-(methoxymethyl)phenyl]cyclopropan-1-amine
SMILESCOCc1cc(C2(N)CC2)ccc1F
InChIInChI=1S/C11H14FNO/c1-14-7-8-6-9(2-3-10(8)12)11(13)4-5-11/h2-3,6H,4-5,7,13H2,1H3
InChIKeyDEVODYHECQEOIM-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.92
Rot. Bonds3

About 1-[4-fluoro-3-(methoxymethyl)phenyl]cyclopropan-1-amine

1-[4-fluoro-3-(methoxymethyl)phenyl]cyclopropan-1-amine (PubChem CID 117285367) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-[4-fluoro-3-(methoxymethyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-fluoro-3-(methoxymethyl)phenyl]cyclopropan-1-amine
PubChem CID117285367
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name1-[4-fluoro-3-(methoxymethyl)phenyl]cyclopropan-1-amine
SMILESCOCc1cc(C2(N)CC2)ccc1F
InChIInChI=1S/C11H14FNO/c1-14-7-8-6-9(2-3-10(8)12)11(13)4-5-11/h2-3,6H,4-5,7,13H2,1H3
InChIKeyDEVODYHECQEOIM-UHFFFAOYSA-N
XLogP1.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(methoxymethyl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[4-fluoro-3-(methoxymethyl)phenyl]cyclopropan-1-amine (CID 117285367) is 1-[4-fluoro-3-(methoxymethyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-fluoro-3-(methoxymethyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-fluoro-3-(methoxymethyl)phenyl]cyclopropan-1-amine is COCc1cc(C2(N)CC2)ccc1F.
What is the InChIKey of 1-[4-fluoro-3-(methoxymethyl)phenyl]cyclopropan-1-amine?
The InChIKey is DEVODYHECQEOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-14-7-8-6-9(2-3-10(8)12)11(13)4-5-11/h2-3,6H,4-5,7,13H2,1H3.
What are the key properties of 1-[4-fluoro-3-(methoxymethyl)phenyl]cyclopropan-1-amine?
1-[4-fluoro-3-(methoxymethyl)phenyl]cyclopropan-1-amine has a molecular weight of 195.24 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(methoxymethyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 117285367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).