2-(1,3-dihydroisoindol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

C18H20N2 — CID 62204652

IUPAC2-(1,3-dihydroisoindol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1c2ccccc2CCC1N1Cc2ccccc2C1
InChIInChI=1S/C18H20N2/c19-18-16-8-4-3-5-13(16)9-10-17(18)20-11-14-6-1-2-7-15(14)12-20/h1-8,17-18H,9-12,19H2
InChIKeyLBZCREZUGVOTIC-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.02
Rot. Bonds1

About 2-(1,3-dihydroisoindol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

2-(1,3-dihydroisoindol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 62204652) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID62204652
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1c2ccccc2CCC1N1Cc2ccccc2C1
InChIInChI=1S/C18H20N2/c19-18-16-8-4-3-5-13(16)9-10-17(18)20-11-14-6-1-2-7-15(14)12-20/h1-8,17-18H,9-12,19H2
InChIKeyLBZCREZUGVOTIC-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 62204652) is 2-(1,3-dihydroisoindol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is NC1c2ccccc2CCC1N1Cc2ccccc2C1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is LBZCREZUGVOTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c19-18-16-8-4-3-5-13(16)9-10-17(18)20-11-14-6-1-2-7-15(14)12-20/h1-8,17-18H,9-12,19H2.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(1,3-dihydroisoindol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 264.37 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 62204652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).