N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine

C16H17NO — CID 82710227

IUPACN-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
SMILESc1ccc(CONC2CCc3ccccc32)cc1
InChIInChI=1S/C16H17NO/c1-2-6-13(7-3-1)12-18-17-16-11-10-14-8-4-5-9-15(14)16/h1-9,16-17H,10-12H2
InChIKeySPQQOBXXKMYJGK-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.40
Rot. Bonds4

About N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine

N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 82710227) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID82710227
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
SMILESc1ccc(CONC2CCc3ccccc32)cc1
InChIInChI=1S/C16H17NO/c1-2-6-13(7-3-1)12-18-17-16-11-10-14-8-4-5-9-15(14)16/h1-9,16-17H,10-12H2
InChIKeySPQQOBXXKMYJGK-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine (CID 82710227) is N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine is c1ccc(CONC2CCc3ccccc32)cc1.
What is the InChIKey of N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SPQQOBXXKMYJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-6-13(7-3-1)12-18-17-16-11-10-14-8-4-5-9-15(14)16/h1-9,16-17H,10-12H2.
What are the key properties of N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine?
N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 239.32 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 82710227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).