N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine

C19H16ClN — CID 115348592

IUPACN-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine
SMILESClc1ccc2c(c1)CC(Nc1cccc3ccccc13)C2
InChIInChI=1S/C19H16ClN/c20-16-9-8-14-11-17(12-15(14)10-16)21-19-7-3-5-13-4-1-2-6-18(13)19/h1-10,17,21H,11-12H2
InChIKeyISJUDFZRWGTYHV-UHFFFAOYSA-N
MW293.80 g/mol
LogP5.07
Rot. Bonds2

About N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine

N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine (PubChem CID 115348592) has the molecular formula C19H16ClN and a molecular weight of 293.80 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine
PubChem CID115348592
Molecular FormulaC19H16ClN
Molecular Weight293.80 g/mol
Exact Mass293.10
IUPAC NameN-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine
SMILESClc1ccc2c(c1)CC(Nc1cccc3ccccc13)C2
InChIInChI=1S/C19H16ClN/c20-16-9-8-14-11-17(12-15(14)10-16)21-19-7-3-5-13-4-1-2-6-18(13)19/h1-10,17,21H,11-12H2
InChIKeyISJUDFZRWGTYHV-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.80
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine?
The IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine (CID 115348592) is N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine is Clc1ccc2c(c1)CC(Nc1cccc3ccccc13)C2.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine?
The InChIKey is ISJUDFZRWGTYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN/c20-16-9-8-14-11-17(12-15(14)10-16)21-19-7-3-5-13-4-1-2-6-18(13)19/h1-10,17,21H,11-12H2.
What are the key properties of N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine?
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine has a molecular weight of 293.80 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1H-inden-2-yl)naphthalen-1-amine is sourced from PubChem (CID 115348592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).