2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine;hydrochloride

C16H26ClN — CID 122157014

IUPAC2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine;hydrochloride
SMILESCC1(Cc2ccc(C(C)(C)C)cc2)CCCN1.Cl
InChIInChI=1S/C16H25N.ClH/c1-15(2,3)14-8-6-13(7-9-14)12-16(4)10-5-11-17-16;/h6-9,17H,5,10-12H2,1-4H3;1H
InChIKeyAPBBQKXBUJJRNU-UHFFFAOYSA-N
MW267.84 g/mol
LogP4.09
Rot. Bonds2

About 2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine;hydrochloride

2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine;hydrochloride (PubChem CID 122157014) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine;hydrochloride
PubChem CID122157014
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine;hydrochloride
SMILESCC1(Cc2ccc(C(C)(C)C)cc2)CCCN1.Cl
InChIInChI=1S/C16H25N.ClH/c1-15(2,3)14-8-6-13(7-9-14)12-16(4)10-5-11-17-16;/h6-9,17H,5,10-12H2,1-4H3;1H
InChIKeyAPBBQKXBUJJRNU-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.84
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine;hydrochloride?
The IUPAC name of 2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine;hydrochloride (CID 122157014) is 2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine;hydrochloride.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine;hydrochloride?
The canonical SMILES for 2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine;hydrochloride is CC1(Cc2ccc(C(C)(C)C)cc2)CCCN1.Cl.
What is the InChIKey of 2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine;hydrochloride?
The InChIKey is APBBQKXBUJJRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N.ClH/c1-15(2,3)14-8-6-13(7-9-14)12-16(4)10-5-11-17-16;/h6-9,17H,5,10-12H2,1-4H3;1H.
What are the key properties of 2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine;hydrochloride?
2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine;hydrochloride has a molecular weight of 267.84 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine;hydrochloride is sourced from PubChem (CID 122157014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).