2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine

C12H17NO — CID 79332118

IUPAC2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine
SMILESCCC1CC1(N)c1ccccc1OC
InChIInChI=1S/C12H17NO/c1-3-9-8-12(9,13)10-6-4-5-7-11(10)14-2/h4-7,9H,3,8,13H2,1-2H3
InChIKeyGAOLOVPBPBRTPE-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.28
Rot. Bonds3

About 2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine

2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine (PubChem CID 79332118) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine
PubChem CID79332118
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine
SMILESCCC1CC1(N)c1ccccc1OC
InChIInChI=1S/C12H17NO/c1-3-9-8-12(9,13)10-6-4-5-7-11(10)14-2/h4-7,9H,3,8,13H2,1-2H3
InChIKeyGAOLOVPBPBRTPE-UHFFFAOYSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine (CID 79332118) is 2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine is CCC1CC1(N)c1ccccc1OC.
What is the InChIKey of 2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine?
The InChIKey is GAOLOVPBPBRTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-9-8-12(9,13)10-6-4-5-7-11(10)14-2/h4-7,9H,3,8,13H2,1-2H3.
What are the key properties of 2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine?
2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 79332118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).