2-[2-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanamine

C13H18FNO2 — CID 106930366

IUPAC2-[2-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanamine
SMILESNCCc1cccc(F)c1OCOCC1CC1
InChIInChI=1S/C13H18FNO2/c14-12-3-1-2-11(6-7-15)13(12)17-9-16-8-10-4-5-10/h1-3,10H,4-9,15H2
InChIKeyRIHKXCOJJSDVHA-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.09
Rot. Bonds7

About 2-[2-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanamine

2-[2-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanamine (PubChem CID 106930366) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanamine
PubChem CID106930366
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-[2-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanamine
SMILESNCCc1cccc(F)c1OCOCC1CC1
InChIInChI=1S/C13H18FNO2/c14-12-3-1-2-11(6-7-15)13(12)17-9-16-8-10-4-5-10/h1-3,10H,4-9,15H2
InChIKeyRIHKXCOJJSDVHA-UHFFFAOYSA-N
XLogP2.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine
CID 112615272
2-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 112615119
2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115984055
2-[3-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 112615303
[4-(cyclopropylmethoxymethoxy)-3,5-difluorophenyl]methanol
CID 106929822
2-(3-fluoro-2-pentoxyphenyl)ethanamine
CID 112615154
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-cyclopropyl-N-methylacetamide
CID 112615213
2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine
CID 112615284
2-[3-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 112615245
2-[3-fluoro-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine
CID 115957965
1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene
CID 59382984
2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine
CID 114620711

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanamine (CID 106930366) is 2-[2-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanamine is NCCc1cccc(F)c1OCOCC1CC1.
What is the InChIKey of 2-[2-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanamine?
The InChIKey is RIHKXCOJJSDVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c14-12-3-1-2-11(6-7-15)13(12)17-9-16-8-10-4-5-10/h1-3,10H,4-9,15H2.
What are the key properties of 2-[2-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanamine?
2-[2-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanamine has a molecular weight of 239.29 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethoxymethoxy)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 106930366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).