N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine

C15H14ClN — CID 25096523

IUPACN-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESClc1cccc(NC2CCc3ccccc32)c1
InChIInChI=1S/C15H14ClN/c16-12-5-3-6-13(10-12)17-15-9-8-11-4-1-2-7-14(11)15/h1-7,10,15,17H,8-9H2
InChIKeyPLZZRRZEOYROCT-UHFFFAOYSA-N
MW243.74 g/mol
LogP4.44
Rot. Bonds2

About N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine

N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 25096523) has the molecular formula C15H14ClN and a molecular weight of 243.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID25096523
Molecular FormulaC15H14ClN
Molecular Weight243.74 g/mol
Exact Mass243.08
IUPAC NameN-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESClc1cccc(NC2CCc3ccccc32)c1
InChIInChI=1S/C15H14ClN/c16-12-5-3-6-13(10-12)17-15-9-8-11-4-1-2-7-14(11)15/h1-7,10,15,17H,8-9H2
InChIKeyPLZZRRZEOYROCT-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine (CID 25096523) is N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine is Clc1cccc(NC2CCc3ccccc32)c1.
What is the InChIKey of N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is PLZZRRZEOYROCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN/c16-12-5-3-6-13(10-12)17-15-9-8-11-4-1-2-7-14(11)15/h1-7,10,15,17H,8-9H2.
What are the key properties of N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 243.74 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 25096523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).