2-naphthalen-1-ylethanamine

C12H13N — CID 20853

IUPAC2-naphthalen-1-ylethanamine
SMILESNCCc1cccc2ccccc12
InChIInChI=1S/C12H13N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9,13H2
InChIKeyRUJHATQMIMUYKD-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.34
Rot. Bonds2

About 2-naphthalen-1-ylethanamine

2-naphthalen-1-ylethanamine (PubChem CID 20853) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name2-naphthalen-1-ylethanamine
PubChem CID20853
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name2-naphthalen-1-ylethanamine
SMILESNCCc1cccc2ccccc12
InChIInChI=1S/C12H13N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9,13H2
InChIKeyRUJHATQMIMUYKD-UHFFFAOYSA-N
XLogP2.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylethanamine?
The IUPAC name of 2-naphthalen-1-ylethanamine (CID 20853) is 2-naphthalen-1-ylethanamine.
What is the SMILES notation for 2-naphthalen-1-ylethanamine?
The canonical SMILES for 2-naphthalen-1-ylethanamine is NCCc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylethanamine?
The InChIKey is RUJHATQMIMUYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9,13H2.
What are the key properties of 2-naphthalen-1-ylethanamine?
2-naphthalen-1-ylethanamine has a molecular weight of 171.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylethanamine is sourced from PubChem (CID 20853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).