2-methyl-2-(naphthalen-1-ylmethyl)pyrrolidine;hydrochloride

C16H20ClN — CID 122164463

IUPAC2-methyl-2-(naphthalen-1-ylmethyl)pyrrolidine;hydrochloride
SMILESCC1(Cc2cccc3ccccc23)CCCN1.Cl
InChIInChI=1S/C16H19N.ClH/c1-16(10-5-11-17-16)12-14-8-4-7-13-6-2-3-9-15(13)14;/h2-4,6-9,17H,5,10-12H2,1H3;1H
InChIKeyNFQMOAVZDCWZMC-UHFFFAOYSA-N
MW261.80 g/mol
LogP3.95
Rot. Bonds2

About 2-methyl-2-(naphthalen-1-ylmethyl)pyrrolidine;hydrochloride

2-methyl-2-(naphthalen-1-ylmethyl)pyrrolidine;hydrochloride (PubChem CID 122164463) has the molecular formula C16H20ClN and a molecular weight of 261.80 g/mol. Its IUPAC name is 2-methyl-2-(naphthalen-1-ylmethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-methyl-2-(naphthalen-1-ylmethyl)pyrrolidine;hydrochloride
PubChem CID122164463
Molecular FormulaC16H20ClN
Molecular Weight261.80 g/mol
Exact Mass261.13
IUPAC Name2-methyl-2-(naphthalen-1-ylmethyl)pyrrolidine;hydrochloride
SMILESCC1(Cc2cccc3ccccc23)CCCN1.Cl
InChIInChI=1S/C16H19N.ClH/c1-16(10-5-11-17-16)12-14-8-4-7-13-6-2-3-9-15(13)14;/h2-4,6-9,17H,5,10-12H2,1H3;1H
InChIKeyNFQMOAVZDCWZMC-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(naphthalen-1-ylmethyl)pyrrolidine;hydrochloride?
The IUPAC name of 2-methyl-2-(naphthalen-1-ylmethyl)pyrrolidine;hydrochloride (CID 122164463) is 2-methyl-2-(naphthalen-1-ylmethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 2-methyl-2-(naphthalen-1-ylmethyl)pyrrolidine;hydrochloride?
The canonical SMILES for 2-methyl-2-(naphthalen-1-ylmethyl)pyrrolidine;hydrochloride is CC1(Cc2cccc3ccccc23)CCCN1.Cl.
What is the InChIKey of 2-methyl-2-(naphthalen-1-ylmethyl)pyrrolidine;hydrochloride?
The InChIKey is NFQMOAVZDCWZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N.ClH/c1-16(10-5-11-17-16)12-14-8-4-7-13-6-2-3-9-15(13)14;/h2-4,6-9,17H,5,10-12H2,1H3;1H.
What are the key properties of 2-methyl-2-(naphthalen-1-ylmethyl)pyrrolidine;hydrochloride?
2-methyl-2-(naphthalen-1-ylmethyl)pyrrolidine;hydrochloride has a molecular weight of 261.80 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(naphthalen-1-ylmethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 122164463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).