1-cyclopropyl-2-(2,3-difluorophenoxy)ethanamine

C11H13F2NO — CID 63905866

IUPAC1-cyclopropyl-2-(2,3-difluorophenoxy)ethanamine
SMILESNC(COc1cccc(F)c1F)C1CC1
InChIInChI=1S/C11H13F2NO/c12-8-2-1-3-10(11(8)13)15-6-9(14)7-4-5-7/h1-3,7,9H,4-6,14H2
InChIKeyBBTJPLLJNUHVKR-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.08
Rot. Bonds4

About 1-cyclopropyl-2-(2,3-difluorophenoxy)ethanamine

1-cyclopropyl-2-(2,3-difluorophenoxy)ethanamine (PubChem CID 63905866) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2,3-difluorophenoxy)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(2,3-difluorophenoxy)ethanamine
PubChem CID63905866
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-cyclopropyl-2-(2,3-difluorophenoxy)ethanamine
SMILESNC(COc1cccc(F)c1F)C1CC1
InChIInChI=1S/C11H13F2NO/c12-8-2-1-3-10(11(8)13)15-6-9(14)7-4-5-7/h1-3,7,9H,4-6,14H2
InChIKeyBBTJPLLJNUHVKR-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenoxy)-1-(oxan-4-yl)ethanamine
CID 117238680
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
1-(2,3-difluorophenoxy)-3,3-dimethylbutan-2-amine
CID 63037624
1-cyclopropyl-2-(2-propoxyphenoxy)ethanamine
CID 63913161
1-cyclopropyl-2-quinolin-5-yloxyethanamine
CID 103044483
2-(2,3-difluorophenoxy)-1-(2-methoxyphenyl)ethanamine
CID 63038149
2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine
CID 107523625
3-(2,3-difluorophenoxy)propane-1,2-diol
CID 79838719
2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine
CID 63036932
ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate
CID 55144001
2-(2,3-difluorophenoxy)ethanamine
CID 63036211
2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine
CID 63036402

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2,3-difluorophenoxy)ethanamine?
The IUPAC name of 1-cyclopropyl-2-(2,3-difluorophenoxy)ethanamine (CID 63905866) is 1-cyclopropyl-2-(2,3-difluorophenoxy)ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(2,3-difluorophenoxy)ethanamine?
The canonical SMILES for 1-cyclopropyl-2-(2,3-difluorophenoxy)ethanamine is NC(COc1cccc(F)c1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2,3-difluorophenoxy)ethanamine?
The InChIKey is BBTJPLLJNUHVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-8-2-1-3-10(11(8)13)15-6-9(14)7-4-5-7/h1-3,7,9H,4-6,14H2.
What are the key properties of 1-cyclopropyl-2-(2,3-difluorophenoxy)ethanamine?
1-cyclopropyl-2-(2,3-difluorophenoxy)ethanamine has a molecular weight of 213.23 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2,3-difluorophenoxy)ethanamine is sourced from PubChem (CID 63905866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).