1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine

C13H17F2NO — CID 62572699

IUPAC1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
SMILESCC(NCCOc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C13H17F2NO/c1-9(10-2-3-10)16-6-7-17-13-5-4-11(14)8-12(13)15/h4-5,8-10,16H,2-3,6-7H2,1H3
InChIKeyBQMKCKHJEOBGOG-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.73
Rot. Bonds6

About 1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine

1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine (PubChem CID 62572699) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
PubChem CID62572699
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
SMILESCC(NCCOc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C13H17F2NO/c1-9(10-2-3-10)16-6-7-17-13-5-4-11(14)8-12(13)15/h4-5,8-10,16H,2-3,6-7H2,1H3
InChIKeyBQMKCKHJEOBGOG-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,4-difluorophenoxy)ethyl]-3-methylbutan-2-amine
CID 55088305
1-cyclopropyl-N-[2-(2,4-difluorophenyl)sulfanylethyl]ethanamine
CID 55092492
N-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine
CID 63273198
N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine
CID 62570847
2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride
CID 86262296
1-cyclopropyl-N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]ethanamine
CID 62585092
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine
CID 115893937
1-cyclopropyl-N-(2-quinolin-8-yloxyethyl)ethanamine
CID 62598191
1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine
CID 55024132
2-amino-N-[3-(2,4-difluorophenoxy)propyl]propanamide
CID 112509123
N-[2-(2,4-difluorophenoxy)ethyl]-1-[4-(tetrazol-1-yl)phenyl]ethanamine
CID 84589164
1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine
CID 62585284

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine (CID 62572699) is 1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine is CC(NCCOc1ccc(F)cc1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine?
The InChIKey is BQMKCKHJEOBGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-9(10-2-3-10)16-6-7-17-13-5-4-11(14)8-12(13)15/h4-5,8-10,16H,2-3,6-7H2,1H3.
What are the key properties of 1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine?
1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine has a molecular weight of 241.28 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine is sourced from PubChem (CID 62572699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).