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

C16H16ClNO — CID 82709693

IUPAC5-chloro-N-phenylmethoxy-2,3-dihydro-1H-inden-2-amine
SMILESClc1ccc2c(c1)CC(NOCc1ccccc1)C2
InChIInChI=1S/C16H16ClNO/c17-15-7-6-13-9-16(10-14(13)8-15)18-19-11-12-4-2-1-3-5-12/h1-8,16,18H,9-11H2
InChIKeyZKKUSJFWEBDFSK-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.53
Rot. Bonds4

About 5-chloro-N-phenylmethoxy-2,3-dihydro-1H-inden-2-amine

5-chloro-N-phenylmethoxy-2,3-dihydro-1H-inden-2-amine (PubChem CID 82709693) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 5-chloro-N-phenylmethoxy-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-phenylmethoxy-2,3-dihydro-1H-inden-2-amine
PubChem CID82709693
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name5-chloro-N-phenylmethoxy-2,3-dihydro-1H-inden-2-amine
SMILESClc1ccc2c(c1)CC(NOCc1ccccc1)C2
InChIInChI=1S/C16H16ClNO/c17-15-7-6-13-9-16(10-14(13)8-15)18-19-11-12-4-2-1-3-5-12/h1-8,16,18H,9-11H2
InChIKeyZKKUSJFWEBDFSK-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-phenylmethoxy-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-phenylmethoxy-2,3-dihydro-1H-inden-2-amine (CID 82709693) is 5-chloro-N-phenylmethoxy-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-phenylmethoxy-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-phenylmethoxy-2,3-dihydro-1H-inden-2-amine is Clc1ccc2c(c1)CC(NOCc1ccccc1)C2.
What is the InChIKey of 5-chloro-N-phenylmethoxy-2,3-dihydro-1H-inden-2-amine?
The InChIKey is ZKKUSJFWEBDFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-15-7-6-13-9-16(10-14(13)8-15)18-19-11-12-4-2-1-3-5-12/h1-8,16,18H,9-11H2.
What are the key properties of 5-chloro-N-phenylmethoxy-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-phenylmethoxy-2,3-dihydro-1H-inden-2-amine has a molecular weight of 273.76 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-phenylmethoxy-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 82709693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).