(1-naphthalen-2-ylpyrrolidin-2-yl)methanamine;hydrochloride

C15H19ClN2 — CID 3072397

IUPAC(1-naphthalen-2-ylpyrrolidin-2-yl)methanamine;hydrochloride
SMILESCl.NCC1CCCN1c1ccc2ccccc2c1
InChIInChI=1S/C15H18N2.ClH/c16-11-15-6-3-9-17(15)14-8-7-12-4-1-2-5-13(12)10-14;/h1-2,4-5,7-8,10,15H,3,6,9,11,16H2;1H
InChIKeyAQXYAWBXFXZIPU-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.19
Rot. Bonds2

About (1-naphthalen-2-ylpyrrolidin-2-yl)methanamine;hydrochloride

(1-naphthalen-2-ylpyrrolidin-2-yl)methanamine;hydrochloride (PubChem CID 3072397) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is (1-naphthalen-2-ylpyrrolidin-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1-naphthalen-2-ylpyrrolidin-2-yl)methanamine;hydrochloride
PubChem CID3072397
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name(1-naphthalen-2-ylpyrrolidin-2-yl)methanamine;hydrochloride
SMILESCl.NCC1CCCN1c1ccc2ccccc2c1
InChIInChI=1S/C15H18N2.ClH/c16-11-15-6-3-9-17(15)14-8-7-12-4-1-2-5-13(12)10-14;/h1-2,4-5,7-8,10,15H,3,6,9,11,16H2;1H
InChIKeyAQXYAWBXFXZIPU-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-naphthalen-2-ylpyrrolidin-2-yl)methanamine;hydrochloride?
The IUPAC name of (1-naphthalen-2-ylpyrrolidin-2-yl)methanamine;hydrochloride (CID 3072397) is (1-naphthalen-2-ylpyrrolidin-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (1-naphthalen-2-ylpyrrolidin-2-yl)methanamine;hydrochloride?
The canonical SMILES for (1-naphthalen-2-ylpyrrolidin-2-yl)methanamine;hydrochloride is Cl.NCC1CCCN1c1ccc2ccccc2c1.
What is the InChIKey of (1-naphthalen-2-ylpyrrolidin-2-yl)methanamine;hydrochloride?
The InChIKey is AQXYAWBXFXZIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2.ClH/c16-11-15-6-3-9-17(15)14-8-7-12-4-1-2-5-13(12)10-14;/h1-2,4-5,7-8,10,15H,3,6,9,11,16H2;1H.
What are the key properties of (1-naphthalen-2-ylpyrrolidin-2-yl)methanamine;hydrochloride?
(1-naphthalen-2-ylpyrrolidin-2-yl)methanamine;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-naphthalen-2-ylpyrrolidin-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 3072397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).