2-[1-(1-aminoethyl)cyclopropyl]-3,4-dimethylphenol

C13H19NO — CID 117293806

IUPAC2-[1-(1-aminoethyl)cyclopropyl]-3,4-dimethylphenol
SMILESCc1ccc(O)c(C2(C(C)N)CC2)c1C
InChIInChI=1S/C13H19NO/c1-8-4-5-11(15)12(9(8)2)13(6-7-13)10(3)14/h4-5,10,15H,6-7,14H2,1-3H3
InChIKeyCXVLBSCTAIOWCR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.39
Rot. Bonds2

About 2-[1-(1-aminoethyl)cyclopropyl]-3,4-dimethylphenol

2-[1-(1-aminoethyl)cyclopropyl]-3,4-dimethylphenol (PubChem CID 117293806) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[1-(1-aminoethyl)cyclopropyl]-3,4-dimethylphenol.

Molecular Properties

Compound Name2-[1-(1-aminoethyl)cyclopropyl]-3,4-dimethylphenol
PubChem CID117293806
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[1-(1-aminoethyl)cyclopropyl]-3,4-dimethylphenol
SMILESCc1ccc(O)c(C2(C(C)N)CC2)c1C
InChIInChI=1S/C13H19NO/c1-8-4-5-11(15)12(9(8)2)13(6-7-13)10(3)14/h4-5,10,15H,6-7,14H2,1-3H3
InChIKeyCXVLBSCTAIOWCR-UHFFFAOYSA-N
XLogP2.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminoethyl)cyclopropyl]-3,4-dimethylphenol?
The IUPAC name of 2-[1-(1-aminoethyl)cyclopropyl]-3,4-dimethylphenol (CID 117293806) is 2-[1-(1-aminoethyl)cyclopropyl]-3,4-dimethylphenol.
What is the SMILES notation for 2-[1-(1-aminoethyl)cyclopropyl]-3,4-dimethylphenol?
The canonical SMILES for 2-[1-(1-aminoethyl)cyclopropyl]-3,4-dimethylphenol is Cc1ccc(O)c(C2(C(C)N)CC2)c1C.
What is the InChIKey of 2-[1-(1-aminoethyl)cyclopropyl]-3,4-dimethylphenol?
The InChIKey is CXVLBSCTAIOWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-8-4-5-11(15)12(9(8)2)13(6-7-13)10(3)14/h4-5,10,15H,6-7,14H2,1-3H3.
What are the key properties of 2-[1-(1-aminoethyl)cyclopropyl]-3,4-dimethylphenol?
2-[1-(1-aminoethyl)cyclopropyl]-3,4-dimethylphenol has a molecular weight of 205.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminoethyl)cyclopropyl]-3,4-dimethylphenol is sourced from PubChem (CID 117293806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).