3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride

C11H15Cl2N — CID 169498285

IUPAC3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride
SMILESCc1cc(C2CCNC2)ccc1Cl.Cl
InChIInChI=1S/C11H14ClN.ClH/c1-8-6-9(2-3-11(8)12)10-4-5-13-7-10;/h2-3,6,10,13H,4-5,7H2,1H3;1H
InChIKeyAWQXFMDXJRVJKE-UHFFFAOYSA-N
MW232.15 g/mol
LogP3.15
Rot. Bonds1

About 3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride

3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride (PubChem CID 169498285) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is 3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride
PubChem CID169498285
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC Name3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride
SMILESCc1cc(C2CCNC2)ccc1Cl.Cl
InChIInChI=1S/C11H14ClN.ClH/c1-8-6-9(2-3-11(8)12)10-4-5-13-7-10;/h2-3,6,10,13H,4-5,7H2,1H3;1H
InChIKeyAWQXFMDXJRVJKE-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-(4-chloro-3-iodophenyl)pyrrolidine
CID 131162893
3-(4-chloro-3-methylphenyl)-2,3,4,7-tetrahydro-1H-azepine
CID 71541194
(3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride
CID 71742220
3-(4-chloro-2,5-dimethylphenyl)pyrrolidine
CID 84781090
3-(3-ethyl-4-methylphenyl)pyrrolidine
CID 84662276
N,N,2-trimethyl-5-pyrrolidin-3-ylaniline
CID 117116674
(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine
CID 55253037
3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride
CID 169498562
2-methyl-4-piperidin-3-ylphenol
CID 84663479
(4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one
CID 124634608
3-[3-chloro-4-(oxan-4-yl)phenyl]pyrrolidine
CID 117418775
3-[4-(3,5-dimethylphenyl)phenyl]pyrrolidine
CID 82297925

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride (CID 169498285) is 3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride is Cc1cc(C2CCNC2)ccc1Cl.Cl.
What is the InChIKey of 3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride?
The InChIKey is AWQXFMDXJRVJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN.ClH/c1-8-6-9(2-3-11(8)12)10-4-5-13-7-10;/h2-3,6,10,13H,4-5,7H2,1H3;1H.
What are the key properties of 3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride?
3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride has a molecular weight of 232.15 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 169498285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).