2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride

C12H17Cl2N — CID 122156828

IUPAC2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride
SMILESCC1(Cc2cccc(Cl)c2)CCCN1.Cl
InChIInChI=1S/C12H16ClN.ClH/c1-12(6-3-7-14-12)9-10-4-2-5-11(13)8-10;/h2,4-5,8,14H,3,6-7,9H2,1H3;1H
InChIKeyPAHJQYGZAJRONE-UHFFFAOYSA-N
MW246.18 g/mol
LogP3.45
Rot. Bonds2

About 2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride

2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride (PubChem CID 122156828) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride
PubChem CID122156828
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC Name2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride
SMILESCC1(Cc2cccc(Cl)c2)CCCN1.Cl
InChIInChI=1S/C12H16ClN.ClH/c1-12(6-3-7-14-12)9-10-4-2-5-11(13)8-10;/h2,4-5,8,14H,3,6-7,9H2,1H3;1H
InChIKeyPAHJQYGZAJRONE-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine
CID 82923443
2-[(3-chlorophenyl)methyl]-2-cyclopropylpyrrolidine
CID 66466260
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058938
(2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine
CID 124511306
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine
CID 104688068
5-[(3-chlorophenyl)methyl]-5-methylpyrrolidin-2-one
CID 104687299
4-[(2-methylpyrrolidin-2-yl)methyl]pyridine
CID 66465987
(2S)-2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine
CID 124515557
2-[(4-chlorothiophen-2-yl)methyl]-2-methylpyrrolidine
CID 104688117
2-[(3-chloro-2-fluorophenyl)methyl]-2-methylpyrrolidine
CID 114489584
(2S)-2-methyl-2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
CID 124575827
4-[2-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]thiophene-2-carbaldehyde
CID 118628846

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride (CID 122156828) is 2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride is CC1(Cc2cccc(Cl)c2)CCCN1.Cl.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride?
The InChIKey is PAHJQYGZAJRONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN.ClH/c1-12(6-3-7-14-12)9-10-4-2-5-11(13)8-10;/h2,4-5,8,14H,3,6-7,9H2,1H3;1H.
What are the key properties of 2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride?
2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride has a molecular weight of 246.18 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-2-methylpyrrolidine;hydrochloride is sourced from PubChem (CID 122156828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).