5-chloro-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-2-amine

C16H17ClN2 — CID 81343769

IUPAC5-chloro-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-2-amine
SMILESClc1ccc2c(c1)CC(NCCc1ccncc1)C2
InChIInChI=1S/C16H17ClN2/c17-15-2-1-13-10-16(11-14(13)9-15)19-8-5-12-3-6-18-7-4-12/h1-4,6-7,9,16,19H,5,8,10-11H2
InChIKeyKBVXXWFDGVYFMF-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.03
Rot. Bonds4

About 5-chloro-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-2-amine

5-chloro-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 81343769) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 5-chloro-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID81343769
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name5-chloro-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-2-amine
SMILESClc1ccc2c(c1)CC(NCCc1ccncc1)C2
InChIInChI=1S/C16H17ClN2/c17-15-2-1-13-10-16(11-14(13)9-15)19-8-5-12-3-6-18-7-4-12/h1-4,6-7,9,16,19H,5,8,10-11H2
InChIKeyKBVXXWFDGVYFMF-UHFFFAOYSA-N
XLogP3.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-2-amine (CID 81343769) is 5-chloro-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-2-amine is Clc1ccc2c(c1)CC(NCCc1ccncc1)C2.
What is the InChIKey of 5-chloro-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is KBVXXWFDGVYFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c17-15-2-1-13-10-16(11-14(13)9-15)19-8-5-12-3-6-18-7-4-12/h1-4,6-7,9,16,19H,5,8,10-11H2.
What are the key properties of 5-chloro-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 272.78 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 81343769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).