N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine

C16H16ClNO — CID 79366654

IUPACN-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(Nc1ccccc1Cl)CC2
InChIInChI=1S/C16H16ClNO/c1-19-12-8-6-11-7-9-15(13(11)10-12)18-16-5-3-2-4-14(16)17/h2-6,8,10,15,18H,7,9H2,1H3
InChIKeySLCIDJBRDMLERM-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.45
Rot. Bonds3

About N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine

N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 79366654) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID79366654
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(Nc1ccccc1Cl)CC2
InChIInChI=1S/C16H16ClNO/c1-19-12-8-6-11-7-9-15(13(11)10-12)18-16-5-3-2-4-14(16)17/h2-6,8,10,15,18H,7,9H2,1H3
InChIKeySLCIDJBRDMLERM-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 79366654) is N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(Nc1ccccc1Cl)CC2.
What is the InChIKey of N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SLCIDJBRDMLERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-19-12-8-6-11-7-9-15(13(11)10-12)18-16-5-3-2-4-14(16)17/h2-6,8,10,15,18H,7,9H2,1H3.
What are the key properties of N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 273.76 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79366654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).