N-benzyl-1,2,3,4-tetrahydronaphthalen-2-amine

C17H19N — CID 13472341

IUPACN-benzyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESc1ccc(CNC2CCc3ccccc3C2)cc1
InChIInChI=1S/C17H19N/c1-2-6-14(7-3-1)13-18-17-11-10-15-8-4-5-9-16(15)12-17/h1-9,17-18H,10-13H2
InChIKeyPOWDQASDVQVZTG-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.33
Rot. Bonds3

About N-benzyl-1,2,3,4-tetrahydronaphthalen-2-amine

N-benzyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 13472341) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is N-benzyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-benzyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID13472341
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC NameN-benzyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESc1ccc(CNC2CCc3ccccc3C2)cc1
InChIInChI=1S/C17H19N/c1-2-6-14(7-3-1)13-18-17-11-10-15-8-4-5-9-16(15)12-17/h1-9,17-18H,10-13H2
InChIKeyPOWDQASDVQVZTG-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-benzyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 13472341) is N-benzyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-benzyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-benzyl-1,2,3,4-tetrahydronaphthalen-2-amine is c1ccc(CNC2CCc3ccccc3C2)cc1.
What is the InChIKey of N-benzyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is POWDQASDVQVZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-2-6-14(7-3-1)13-18-17-11-10-15-8-4-5-9-16(15)12-17/h1-9,17-18H,10-13H2.
What are the key properties of N-benzyl-1,2,3,4-tetrahydronaphthalen-2-amine?
N-benzyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 237.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 13472341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).