1-(2-phenylpropylamino)-2,3-dihydro-1H-inden-5-ol

C18H21NO — CID 107681875

IUPAC1-(2-phenylpropylamino)-2,3-dihydro-1H-inden-5-ol
SMILESCC(CNC1CCc2cc(O)ccc21)c1ccccc1
InChIInChI=1S/C18H21NO/c1-13(14-5-3-2-4-6-14)12-19-18-10-7-15-11-16(20)8-9-17(15)18/h2-6,8-9,11,13,18-20H,7,10,12H2,1H3
InChIKeyGMWZAXSMMGKWKX-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.77
Rot. Bonds4

About 1-(2-phenylpropylamino)-2,3-dihydro-1H-inden-5-ol

1-(2-phenylpropylamino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 107681875) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2-phenylpropylamino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(2-phenylpropylamino)-2,3-dihydro-1H-inden-5-ol
PubChem CID107681875
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(2-phenylpropylamino)-2,3-dihydro-1H-inden-5-ol
SMILESCC(CNC1CCc2cc(O)ccc21)c1ccccc1
InChIInChI=1S/C18H21NO/c1-13(14-5-3-2-4-6-14)12-19-18-10-7-15-11-16(20)8-9-17(15)18/h2-6,8-9,11,13,18-20H,7,10,12H2,1H3
InChIKeyGMWZAXSMMGKWKX-UHFFFAOYSA-N
XLogP3.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpropylamino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(2-phenylpropylamino)-2,3-dihydro-1H-inden-5-ol (CID 107681875) is 1-(2-phenylpropylamino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(2-phenylpropylamino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(2-phenylpropylamino)-2,3-dihydro-1H-inden-5-ol is CC(CNC1CCc2cc(O)ccc21)c1ccccc1.
What is the InChIKey of 1-(2-phenylpropylamino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is GMWZAXSMMGKWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13(14-5-3-2-4-6-14)12-19-18-10-7-15-11-16(20)8-9-17(15)18/h2-6,8-9,11,13,18-20H,7,10,12H2,1H3.
What are the key properties of 1-(2-phenylpropylamino)-2,3-dihydro-1H-inden-5-ol?
1-(2-phenylpropylamino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 267.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpropylamino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107681875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).