2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide

C14H19FN2O2 — CID 107716273

IUPAC2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide
SMILESCC(N)c1ccc(OCC(=O)NCC2CC2)cc1F
InChIInChI=1S/C14H19FN2O2/c1-9(16)12-5-4-11(6-13(12)15)19-8-14(18)17-7-10-2-3-10/h4-6,9-10H,2-3,7-8,16H2,1H3,(H,17,18)
InChIKeyYTCJAQOOOIJFTQ-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.75
Rot. Bonds6

About 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide

2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide (PubChem CID 107716273) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide
PubChem CID107716273
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide
SMILESCC(N)c1ccc(OCC(=O)NCC2CC2)cc1F
InChIInChI=1S/C14H19FN2O2/c1-9(16)12-5-4-11(6-13(12)15)19-8-14(18)17-7-10-2-3-10/h4-6,9-10H,2-3,7-8,16H2,1H3,(H,17,18)
InChIKeyYTCJAQOOOIJFTQ-UHFFFAOYSA-N
XLogP1.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide
CID 107719071
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(2-cyanoethyl)acetamide
CID 107718715
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(2-cyanoethyl)acetamide
CID 107718150
2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide
CID 107716121
1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine
CID 107715743
N-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide
CID 154693316
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 107720581
2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106122071
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
CID 107716600
2-[3-(2-aminoethyl)phenoxy]-N-(cyclopropylmethyl)acetamide
CID 54930853
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide (CID 107716273) is 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide is CC(N)c1ccc(OCC(=O)NCC2CC2)cc1F.
What is the InChIKey of 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide?
The InChIKey is YTCJAQOOOIJFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9(16)12-5-4-11(6-13(12)15)19-8-14(18)17-7-10-2-3-10/h4-6,9-10H,2-3,7-8,16H2,1H3,(H,17,18).
What are the key properties of 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide?
2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide has a molecular weight of 266.32 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 107716273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).