1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine

C13H19NO — CID 83701496

IUPAC1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
SMILESCCOc1ccc(C2(N)CC2(C)C)cc1
InChIInChI=1S/C13H19NO/c1-4-15-11-7-5-10(6-8-11)13(14)9-12(13,2)3/h5-8H,4,9,14H2,1-3H3
InChIKeyOPXQQHSWORLYFR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.67
Rot. Bonds3

About 1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine

1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine (PubChem CID 83701496) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
PubChem CID83701496
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine
SMILESCCOc1ccc(C2(N)CC2(C)C)cc1
InChIInChI=1S/C13H19NO/c1-4-15-11-7-5-10(6-8-11)13(14)9-12(13,2)3/h5-8H,4,9,14H2,1-3H3
InChIKeyOPXQQHSWORLYFR-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine (CID 83701496) is 1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine is CCOc1ccc(C2(N)CC2(C)C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
The InChIKey is OPXQQHSWORLYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-15-11-7-5-10(6-8-11)13(14)9-12(13,2)3/h5-8H,4,9,14H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 83701496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).