3-amino-1-(2-phenylcyclopropyl)-2,3-dihydroinden-1-ol

C18H19NO — CID 107089509

IUPAC3-amino-1-(2-phenylcyclopropyl)-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(C2CC2c2ccccc2)c2ccccc21
InChIInChI=1S/C18H19NO/c19-17-11-18(20,15-9-5-4-8-13(15)17)16-10-14(16)12-6-2-1-3-7-12/h1-9,14,16-17,20H,10-11,19H2
InChIKeySSNWETLVSAEMGD-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.08
Rot. Bonds2

About 3-amino-1-(2-phenylcyclopropyl)-2,3-dihydroinden-1-ol

3-amino-1-(2-phenylcyclopropyl)-2,3-dihydroinden-1-ol (PubChem CID 107089509) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-amino-1-(2-phenylcyclopropyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-phenylcyclopropyl)-2,3-dihydroinden-1-ol
PubChem CID107089509
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-amino-1-(2-phenylcyclopropyl)-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(C2CC2c2ccccc2)c2ccccc21
InChIInChI=1S/C18H19NO/c19-17-11-18(20,15-9-5-4-8-13(15)17)16-10-14(16)12-6-2-1-3-7-12/h1-9,14,16-17,20H,10-11,19H2
InChIKeySSNWETLVSAEMGD-UHFFFAOYSA-N
XLogP3.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-phenylcyclopropyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-(2-phenylcyclopropyl)-2,3-dihydroinden-1-ol (CID 107089509) is 3-amino-1-(2-phenylcyclopropyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-(2-phenylcyclopropyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-(2-phenylcyclopropyl)-2,3-dihydroinden-1-ol is NC1CC(O)(C2CC2c2ccccc2)c2ccccc21.
What is the InChIKey of 3-amino-1-(2-phenylcyclopropyl)-2,3-dihydroinden-1-ol?
The InChIKey is SSNWETLVSAEMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c19-17-11-18(20,15-9-5-4-8-13(15)17)16-10-14(16)12-6-2-1-3-7-12/h1-9,14,16-17,20H,10-11,19H2.
What are the key properties of 3-amino-1-(2-phenylcyclopropyl)-2,3-dihydroinden-1-ol?
3-amino-1-(2-phenylcyclopropyl)-2,3-dihydroinden-1-ol has a molecular weight of 265.36 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-phenylcyclopropyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107089509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).