4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenol

C16H17NO — CID 22155587

IUPAC4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenol
SMILESOc1ccc(NCC2Cc3ccccc3C2)cc1
InChIInChI=1S/C16H17NO/c18-16-7-5-15(6-8-16)17-11-12-9-13-3-1-2-4-14(13)10-12/h1-8,12,17-18H,9-11H2
InChIKeyXCAPMKXPLLPHSV-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.22
Rot. Bonds3

About 4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenol

4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenol (PubChem CID 22155587) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenol.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenol
PubChem CID22155587
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenol
SMILESOc1ccc(NCC2Cc3ccccc3C2)cc1
InChIInChI=1S/C16H17NO/c18-16-7-5-15(6-8-16)17-11-12-9-13-3-1-2-4-14(13)10-12/h1-8,12,17-18H,9-11H2
InChIKeyXCAPMKXPLLPHSV-UHFFFAOYSA-N
XLogP3.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenol?
The IUPAC name of 4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenol (CID 22155587) is 4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenol.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenol?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenol is Oc1ccc(NCC2Cc3ccccc3C2)cc1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenol?
The InChIKey is XCAPMKXPLLPHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c18-16-7-5-15(6-8-16)17-11-12-9-13-3-1-2-4-14(13)10-12/h1-8,12,17-18H,9-11H2.
What are the key properties of 4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenol?
4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenol has a molecular weight of 239.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenol is sourced from PubChem (CID 22155587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).