3-(4-methylnaphthalen-1-yl)azetidin-3-amine

C14H16N2 — CID 166608721

IUPAC3-(4-methylnaphthalen-1-yl)azetidin-3-amine
SMILESCc1ccc(C2(N)CNC2)c2ccccc12
InChIInChI=1S/C14H16N2/c1-10-6-7-13(14(15)8-16-9-14)12-5-3-2-4-11(10)12/h2-7,16H,8-9,15H2,1H3
InChIKeyFHTVXXZNEPSSFT-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.91
Rot. Bonds1

About 3-(4-methylnaphthalen-1-yl)azetidin-3-amine

3-(4-methylnaphthalen-1-yl)azetidin-3-amine (PubChem CID 166608721) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-(4-methylnaphthalen-1-yl)azetidin-3-amine.

Molecular Properties

Compound Name3-(4-methylnaphthalen-1-yl)azetidin-3-amine
PubChem CID166608721
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name3-(4-methylnaphthalen-1-yl)azetidin-3-amine
SMILESCc1ccc(C2(N)CNC2)c2ccccc12
InChIInChI=1S/C14H16N2/c1-10-6-7-13(14(15)8-16-9-14)12-5-3-2-4-11(10)12/h2-7,16H,8-9,15H2,1H3
InChIKeyFHTVXXZNEPSSFT-UHFFFAOYSA-N
XLogP1.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylnaphthalen-1-yl)azetidin-3-amine?
The IUPAC name of 3-(4-methylnaphthalen-1-yl)azetidin-3-amine (CID 166608721) is 3-(4-methylnaphthalen-1-yl)azetidin-3-amine.
What is the SMILES notation for 3-(4-methylnaphthalen-1-yl)azetidin-3-amine?
The canonical SMILES for 3-(4-methylnaphthalen-1-yl)azetidin-3-amine is Cc1ccc(C2(N)CNC2)c2ccccc12.
What is the InChIKey of 3-(4-methylnaphthalen-1-yl)azetidin-3-amine?
The InChIKey is FHTVXXZNEPSSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-10-6-7-13(14(15)8-16-9-14)12-5-3-2-4-11(10)12/h2-7,16H,8-9,15H2,1H3.
What are the key properties of 3-(4-methylnaphthalen-1-yl)azetidin-3-amine?
3-(4-methylnaphthalen-1-yl)azetidin-3-amine has a molecular weight of 212.30 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylnaphthalen-1-yl)azetidin-3-amine is sourced from PubChem (CID 166608721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).