2-[1-[(2-fluorophenoxy)methyl]cyclopropyl]ethanamine

C12H16FNO — CID 65497942

IUPAC2-[1-[(2-fluorophenoxy)methyl]cyclopropyl]ethanamine
SMILESNCCC1(COc2ccccc2F)CC1
InChIInChI=1S/C12H16FNO/c13-10-3-1-2-4-11(10)15-9-12(5-6-12)7-8-14/h1-4H,5-9,14H2
InChIKeyPFRKKTNVZGYHIM-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.33
Rot. Bonds5

About 2-[1-[(2-fluorophenoxy)methyl]cyclopropyl]ethanamine

2-[1-[(2-fluorophenoxy)methyl]cyclopropyl]ethanamine (PubChem CID 65497942) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenoxy)methyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenoxy)methyl]cyclopropyl]ethanamine
PubChem CID65497942
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-[1-[(2-fluorophenoxy)methyl]cyclopropyl]ethanamine
SMILESNCCC1(COc2ccccc2F)CC1
InChIInChI=1S/C12H16FNO/c13-10-3-1-2-4-11(10)15-9-12(5-6-12)7-8-14/h1-4H,5-9,14H2
InChIKeyPFRKKTNVZGYHIM-UHFFFAOYSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2,5-difluorophenoxy)methyl]cyclopropyl]ethanamine
CID 65497318
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene
CID 65008684
2-[1-(naphthalen-1-yloxymethyl)cyclopropyl]ethanamine
CID 65496036
1-fluoro-2-[[1-(phenoxymethyl)cyclopropyl]methoxy]benzene
CID 174681914
2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]ethanamine
CID 65498164
2-[1-[(2,4-dichlorophenoxy)methyl]cyclopropyl]ethanamine
CID 65495619
2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanamine
CID 65496044
2-[1-[(2-chloro-4-methylphenoxy)methyl]cyclopropyl]ethanamine
CID 65496896
2-[1-(phenylmethoxymethyl)cyclopropyl]ethanamine
CID 65480359
3-[[4-[(2-fluorophenoxy)methyl]-4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
CID 22248002
O-[2-(2-fluorophenoxy)ethyl]hydroxylamine
CID 11019312
2-[1-[(2,4,6-trimethylphenoxy)methyl]cyclopropyl]ethanamine
CID 65495410

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenoxy)methyl]cyclopropyl]ethanamine?
The IUPAC name of 2-[1-[(2-fluorophenoxy)methyl]cyclopropyl]ethanamine (CID 65497942) is 2-[1-[(2-fluorophenoxy)methyl]cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-[(2-fluorophenoxy)methyl]cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-[(2-fluorophenoxy)methyl]cyclopropyl]ethanamine is NCCC1(COc2ccccc2F)CC1.
What is the InChIKey of 2-[1-[(2-fluorophenoxy)methyl]cyclopropyl]ethanamine?
The InChIKey is PFRKKTNVZGYHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-10-3-1-2-4-11(10)15-9-12(5-6-12)7-8-14/h1-4H,5-9,14H2.
What are the key properties of 2-[1-[(2-fluorophenoxy)methyl]cyclopropyl]ethanamine?
2-[1-[(2-fluorophenoxy)methyl]cyclopropyl]ethanamine has a molecular weight of 209.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenoxy)methyl]cyclopropyl]ethanamine is sourced from PubChem (CID 65497942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).