1-cyclopropyl-2-(3-ethylphenoxy)ethanamine

C13H19NO — CID 63907502

IUPAC1-cyclopropyl-2-(3-ethylphenoxy)ethanamine
SMILESCCc1cccc(OCC(N)C2CC2)c1
InChIInChI=1S/C13H19NO/c1-2-10-4-3-5-12(8-10)15-9-13(14)11-6-7-11/h3-5,8,11,13H,2,6-7,9,14H2,1H3
InChIKeyGSIKHKGRQKXAKK-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.37
Rot. Bonds5

About 1-cyclopropyl-2-(3-ethylphenoxy)ethanamine

1-cyclopropyl-2-(3-ethylphenoxy)ethanamine (PubChem CID 63907502) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-ethylphenoxy)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-ethylphenoxy)ethanamine
PubChem CID63907502
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-cyclopropyl-2-(3-ethylphenoxy)ethanamine
SMILESCCc1cccc(OCC(N)C2CC2)c1
InChIInChI=1S/C13H19NO/c1-2-10-4-3-5-12(8-10)15-9-13(14)11-6-7-11/h3-5,8,11,13H,2,6-7,9,14H2,1H3
InChIKeyGSIKHKGRQKXAKK-UHFFFAOYSA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine
CID 104749344
2-(3-ethylphenoxy)-1-phenylethanamine
CID 43211626
2-(3-chlorophenoxy)-1-(4-ethylcyclohexyl)ethanamine
CID 105155171
1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine
CID 43211628
1-(dicyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol
CID 60713290
(2R)-3-(3-ethylphenoxy)-2-methylpropan-1-amine
CID 93264285
2-(3-bromophenoxy)-1-cyclobutylethanamine
CID 117245578
3-(2-amino-2-cyclobutylethoxy)phenol
CID 117245581
2-(3-bromophenoxy)-1-(thian-4-yl)ethanamine
CID 117238803
(R)-cyclopropyl-(3-ethylphenyl)methanamine
CID 55277646
(S)-cyclopropyl-(3-ethylphenyl)methanamine
CID 131196510
(2S)-3-(3-ethylphenoxy)-2-methoxypropan-1-amine
CID 70653682

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-ethylphenoxy)ethanamine?
The IUPAC name of 1-cyclopropyl-2-(3-ethylphenoxy)ethanamine (CID 63907502) is 1-cyclopropyl-2-(3-ethylphenoxy)ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(3-ethylphenoxy)ethanamine?
The canonical SMILES for 1-cyclopropyl-2-(3-ethylphenoxy)ethanamine is CCc1cccc(OCC(N)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-2-(3-ethylphenoxy)ethanamine?
The InChIKey is GSIKHKGRQKXAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-10-4-3-5-12(8-10)15-9-13(14)11-6-7-11/h3-5,8,11,13H,2,6-7,9,14H2,1H3.
What are the key properties of 1-cyclopropyl-2-(3-ethylphenoxy)ethanamine?
1-cyclopropyl-2-(3-ethylphenoxy)ethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-ethylphenoxy)ethanamine is sourced from PubChem (CID 63907502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).