1-[2-(dimethylamino)-5-ethylphenyl]cyclopropan-1-ol

C13H19NO — CID 117117428

IUPAC1-[2-(dimethylamino)-5-ethylphenyl]cyclopropan-1-ol
SMILESCCc1ccc(N(C)C)c(C2(O)CC2)c1
InChIInChI=1S/C13H19NO/c1-4-10-5-6-12(14(2)3)11(9-10)13(15)7-8-13/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeyYDXLSTZTOHBMII-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.30
Rot. Bonds3

About 1-[2-(dimethylamino)-5-ethylphenyl]cyclopropan-1-ol

1-[2-(dimethylamino)-5-ethylphenyl]cyclopropan-1-ol (PubChem CID 117117428) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-5-ethylphenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)-5-ethylphenyl]cyclopropan-1-ol
PubChem CID117117428
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[2-(dimethylamino)-5-ethylphenyl]cyclopropan-1-ol
SMILESCCc1ccc(N(C)C)c(C2(O)CC2)c1
InChIInChI=1S/C13H19NO/c1-4-10-5-6-12(14(2)3)11(9-10)13(15)7-8-13/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeyYDXLSTZTOHBMII-UHFFFAOYSA-N
XLogP2.30
TPSA23.47 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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-5-ethylphenyl]cyclopropan-1-ol?
The IUPAC name of 1-[2-(dimethylamino)-5-ethylphenyl]cyclopropan-1-ol (CID 117117428) is 1-[2-(dimethylamino)-5-ethylphenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(dimethylamino)-5-ethylphenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(dimethylamino)-5-ethylphenyl]cyclopropan-1-ol is CCc1ccc(N(C)C)c(C2(O)CC2)c1.
What is the InChIKey of 1-[2-(dimethylamino)-5-ethylphenyl]cyclopropan-1-ol?
The InChIKey is YDXLSTZTOHBMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-10-5-6-12(14(2)3)11(9-10)13(15)7-8-13/h5-6,9,15H,4,7-8H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)-5-ethylphenyl]cyclopropan-1-ol?
1-[2-(dimethylamino)-5-ethylphenyl]cyclopropan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-5-ethylphenyl]cyclopropan-1-ol is sourced from PubChem (CID 117117428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).