1-phenylmethoxy-2,3-dihydroinden-1-amine

C16H17NO — CID 140512825

IUPAC1-phenylmethoxy-2,3-dihydroinden-1-amine
SMILESNC1(OCc2ccccc2)CCc2ccccc21
InChIInChI=1S/C16H17NO/c17-16(18-12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-15(14)16/h1-9H,10-12,17H2
InChIKeyMPTITFDRBWTGMD-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.96
Rot. Bonds3

About 1-phenylmethoxy-2,3-dihydroinden-1-amine

1-phenylmethoxy-2,3-dihydroinden-1-amine (PubChem CID 140512825) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-phenylmethoxy-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-phenylmethoxy-2,3-dihydroinden-1-amine
PubChem CID140512825
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-phenylmethoxy-2,3-dihydroinden-1-amine
SMILESNC1(OCc2ccccc2)CCc2ccccc21
InChIInChI=1S/C16H17NO/c17-16(18-12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-15(14)16/h1-9H,10-12,17H2
InChIKeyMPTITFDRBWTGMD-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-2,3-dihydroinden-1-amine?
The IUPAC name of 1-phenylmethoxy-2,3-dihydroinden-1-amine (CID 140512825) is 1-phenylmethoxy-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-phenylmethoxy-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-phenylmethoxy-2,3-dihydroinden-1-amine is NC1(OCc2ccccc2)CCc2ccccc21.
What is the InChIKey of 1-phenylmethoxy-2,3-dihydroinden-1-amine?
The InChIKey is MPTITFDRBWTGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c17-16(18-12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-15(14)16/h1-9H,10-12,17H2.
What are the key properties of 1-phenylmethoxy-2,3-dihydroinden-1-amine?
1-phenylmethoxy-2,3-dihydroinden-1-amine has a molecular weight of 239.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-2,3-dihydroinden-1-amine is sourced from PubChem (CID 140512825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).