[4-[dicyclopropyl(hydroxy)methyl]phenyl]azanium

C13H18NO+ — CID 146932607

IUPAC[4-[dicyclopropyl(hydroxy)methyl]phenyl]azanium
SMILES[NH3+]c1ccc(C(O)(C2CC2)C2CC2)cc1
InChIInChI=1S/C13H17NO/c14-12-7-5-11(6-8-12)13(15,9-1-2-9)10-3-4-10/h5-10,15H,1-4,14H2/p+1
InChIKeyAFHYXUGVPXVHOT-UHFFFAOYSA-O
MW204.29 g/mol
LogP1.57
Rot. Bonds3

About [4-[dicyclopropyl(hydroxy)methyl]phenyl]azanium

[4-[dicyclopropyl(hydroxy)methyl]phenyl]azanium (PubChem CID 146932607) has the molecular formula C13H18NO+ and a molecular weight of 204.29 g/mol. Its IUPAC name is [4-[dicyclopropyl(hydroxy)methyl]phenyl]azanium.

Molecular Properties

Compound Name[4-[dicyclopropyl(hydroxy)methyl]phenyl]azanium
PubChem CID146932607
Molecular FormulaC13H18NO+
Molecular Weight204.29 g/mol
Exact Mass204.14
IUPAC Name[4-[dicyclopropyl(hydroxy)methyl]phenyl]azanium
SMILES[NH3+]c1ccc(C(O)(C2CC2)C2CC2)cc1
InChIInChI=1S/C13H17NO/c14-12-7-5-11(6-8-12)13(15,9-1-2-9)10-3-4-10/h5-10,15H,1-4,14H2/p+1
InChIKeyAFHYXUGVPXVHOT-UHFFFAOYSA-O
XLogP1.57
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-[dicyclopropyl(hydroxy)methyl]phenyl]azanium?
The IUPAC name of [4-[dicyclopropyl(hydroxy)methyl]phenyl]azanium (CID 146932607) is [4-[dicyclopropyl(hydroxy)methyl]phenyl]azanium.
What is the SMILES notation for [4-[dicyclopropyl(hydroxy)methyl]phenyl]azanium?
The canonical SMILES for [4-[dicyclopropyl(hydroxy)methyl]phenyl]azanium is [NH3+]c1ccc(C(O)(C2CC2)C2CC2)cc1.
What is the InChIKey of [4-[dicyclopropyl(hydroxy)methyl]phenyl]azanium?
The InChIKey is AFHYXUGVPXVHOT-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H17NO/c14-12-7-5-11(6-8-12)13(15,9-1-2-9)10-3-4-10/h5-10,15H,1-4,14H2/p+1.
What are the key properties of [4-[dicyclopropyl(hydroxy)methyl]phenyl]azanium?
[4-[dicyclopropyl(hydroxy)methyl]phenyl]azanium has a molecular weight of 204.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dicyclopropyl(hydroxy)methyl]phenyl]azanium is sourced from PubChem (CID 146932607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).