2-[3,5-dichloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine

C13H17Cl2NO — CID 71463354

IUPAC2-[3,5-dichloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine
SMILESCC(C)COc1c(Cl)cc(Cl)cc1C1CC1N
InChIInChI=1S/C13H17Cl2NO/c1-7(2)6-17-13-10(9-5-12(9)16)3-8(14)4-11(13)15/h3-4,7,9,12H,5-6,16H2,1-2H3
InChIKeyHZXOGBWNUJHOFJ-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.84
Rot. Bonds4

About 2-[3,5-dichloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine

2-[3,5-dichloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine (PubChem CID 71463354) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 2-[3,5-dichloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-[3,5-dichloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine
PubChem CID71463354
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name2-[3,5-dichloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine
SMILESCC(C)COc1c(Cl)cc(Cl)cc1C1CC1N
InChIInChI=1S/C13H17Cl2NO/c1-7(2)6-17-13-10(9-5-12(9)16)3-8(14)4-11(13)15/h3-4,7,9,12H,5-6,16H2,1-2H3
InChIKeyHZXOGBWNUJHOFJ-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine?
The IUPAC name of 2-[3,5-dichloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine (CID 71463354) is 2-[3,5-dichloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 2-[3,5-dichloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine?
The canonical SMILES for 2-[3,5-dichloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine is CC(C)COc1c(Cl)cc(Cl)cc1C1CC1N.
What is the InChIKey of 2-[3,5-dichloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine?
The InChIKey is HZXOGBWNUJHOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-7(2)6-17-13-10(9-5-12(9)16)3-8(14)4-11(13)15/h3-4,7,9,12H,5-6,16H2,1-2H3.
What are the key properties of 2-[3,5-dichloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine?
2-[3,5-dichloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine has a molecular weight of 274.19 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 71463354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).