2-[2,4-bis(2-methylpropoxy)phenyl]cyclopropan-1-amine

C17H27NO2 — CID 71463356

IUPAC2-[2,4-bis(2-methylpropoxy)phenyl]cyclopropan-1-amine
SMILESCC(C)COc1ccc(C2CC2N)c(OCC(C)C)c1
InChIInChI=1S/C17H27NO2/c1-11(2)9-19-13-5-6-14(15-8-16(15)18)17(7-13)20-10-12(3)4/h5-7,11-12,15-16H,8-10,18H2,1-4H3
InChIKeyOCGLGYAHVKQNJU-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.57
Rot. Bonds7

About 2-[2,4-bis(2-methylpropoxy)phenyl]cyclopropan-1-amine

2-[2,4-bis(2-methylpropoxy)phenyl]cyclopropan-1-amine (PubChem CID 71463356) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[2,4-bis(2-methylpropoxy)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-[2,4-bis(2-methylpropoxy)phenyl]cyclopropan-1-amine
PubChem CID71463356
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[2,4-bis(2-methylpropoxy)phenyl]cyclopropan-1-amine
SMILESCC(C)COc1ccc(C2CC2N)c(OCC(C)C)c1
InChIInChI=1S/C17H27NO2/c1-11(2)9-19-13-5-6-14(15-8-16(15)18)17(7-13)20-10-12(3)4/h5-7,11-12,15-16H,8-10,18H2,1-4H3
InChIKeyOCGLGYAHVKQNJU-UHFFFAOYSA-N
XLogP3.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(2-methylpropoxy)phenyl]cyclopropan-1-amine?
The IUPAC name of 2-[2,4-bis(2-methylpropoxy)phenyl]cyclopropan-1-amine (CID 71463356) is 2-[2,4-bis(2-methylpropoxy)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 2-[2,4-bis(2-methylpropoxy)phenyl]cyclopropan-1-amine?
The canonical SMILES for 2-[2,4-bis(2-methylpropoxy)phenyl]cyclopropan-1-amine is CC(C)COc1ccc(C2CC2N)c(OCC(C)C)c1.
What is the InChIKey of 2-[2,4-bis(2-methylpropoxy)phenyl]cyclopropan-1-amine?
The InChIKey is OCGLGYAHVKQNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-11(2)9-19-13-5-6-14(15-8-16(15)18)17(7-13)20-10-12(3)4/h5-7,11-12,15-16H,8-10,18H2,1-4H3.
What are the key properties of 2-[2,4-bis(2-methylpropoxy)phenyl]cyclopropan-1-amine?
2-[2,4-bis(2-methylpropoxy)phenyl]cyclopropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(2-methylpropoxy)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 71463356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).