1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroindol-6-amine

C19H22N2 — CID 63773328

IUPAC1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(CC1CCCc3ccccc31)CC2
InChIInChI=1S/C19H22N2/c20-17-9-8-15-10-11-21(19(15)12-17)13-16-6-3-5-14-4-1-2-7-18(14)16/h1-2,4,7-9,12,16H,3,5-6,10-11,13,20H2
InChIKeyIFVRRUUCUFSNEE-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.75
Rot. Bonds2

About 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroindol-6-amine

1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroindol-6-amine (PubChem CID 63773328) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroindol-6-amine
PubChem CID63773328
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(CC1CCCc3ccccc31)CC2
InChIInChI=1S/C19H22N2/c20-17-9-8-15-10-11-21(19(15)12-17)13-16-6-3-5-14-4-1-2-7-18(14)16/h1-2,4,7-9,12,16H,3,5-6,10-11,13,20H2
InChIKeyIFVRRUUCUFSNEE-UHFFFAOYSA-N
XLogP3.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroindol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroindol-6-amine?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroindol-6-amine (CID 63773328) is 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroindol-6-amine is Nc1ccc2c(c1)N(CC1CCCc3ccccc31)CC2.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroindol-6-amine?
The InChIKey is IFVRRUUCUFSNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c20-17-9-8-15-10-11-21(19(15)12-17)13-16-6-3-5-14-4-1-2-7-18(14)16/h1-2,4,7-9,12,16H,3,5-6,10-11,13,20H2.
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroindol-6-amine?
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroindol-6-amine has a molecular weight of 278.40 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroindol-6-amine is sourced from PubChem (CID 63773328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).