3-[(3-methylphenyl)methyl]pyrrolidine

C12H17N — CID 55252909

IUPAC3-[(3-methylphenyl)methyl]pyrrolidine
SMILESCc1cccc(CC2CCNC2)c1
InChIInChI=1S/C12H17N/c1-10-3-2-4-11(7-10)8-12-5-6-13-9-12/h2-4,7,12-13H,5-6,8-9H2,1H3
InChIKeyHRFBZUIDHNGZSP-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.15
Rot. Bonds2

About 3-[(3-methylphenyl)methyl]pyrrolidine

3-[(3-methylphenyl)methyl]pyrrolidine (PubChem CID 55252909) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(3-methylphenyl)methyl]pyrrolidine
PubChem CID55252909
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name3-[(3-methylphenyl)methyl]pyrrolidine
SMILESCc1cccc(CC2CCNC2)c1
InChIInChI=1S/C12H17N/c1-10-3-2-4-11(7-10)8-12-5-6-13-9-12/h2-4,7,12-13H,5-6,8-9H2,1H3
InChIKeyHRFBZUIDHNGZSP-UHFFFAOYSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
1-methyl-3-[(3-methylcyclopentyl)methyl]benzene
CID 123940135
3-[(3-cyclopropyloxyphenyl)methyl]pyrrolidine
CID 84785505
3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80563288
2-[(3-methylphenyl)methyl]pyrrolidin-3-ol
CID 83829836
(3R)-3-[(3-methylphenyl)methoxy]pyrrolidine
CID 26191874
2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)pyridine
CID 135135099
1-[(3-ethylcyclohexyl)methyl]-3-methylbenzene
CID 167535995
3-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 64504844
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
3-(piperidin-3-ylmethyl)phenol
CID 57155980

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methyl]pyrrolidine?
The IUPAC name of 3-[(3-methylphenyl)methyl]pyrrolidine (CID 55252909) is 3-[(3-methylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(3-methylphenyl)methyl]pyrrolidine?
The canonical SMILES for 3-[(3-methylphenyl)methyl]pyrrolidine is Cc1cccc(CC2CCNC2)c1.
What is the InChIKey of 3-[(3-methylphenyl)methyl]pyrrolidine?
The InChIKey is HRFBZUIDHNGZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10-3-2-4-11(7-10)8-12-5-6-13-9-12/h2-4,7,12-13H,5-6,8-9H2,1H3.
What are the key properties of 3-[(3-methylphenyl)methyl]pyrrolidine?
3-[(3-methylphenyl)methyl]pyrrolidine has a molecular weight of 175.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 55252909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).