3-[4-(3,5-dimethylphenyl)phenyl]pyrrolidine

C18H21N — CID 82297925

IUPAC3-[4-(3,5-dimethylphenyl)phenyl]pyrrolidine
SMILESCc1cc(C)cc(-c2ccc(C3CCNC3)cc2)c1
InChIInChI=1S/C18H21N/c1-13-9-14(2)11-18(10-13)16-5-3-15(4-6-16)17-7-8-19-12-17/h3-6,9-11,17,19H,7-8,12H2,1-2H3
InChIKeyYXSMPBXRZBGKTH-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.05
Rot. Bonds2

About 3-[4-(3,5-dimethylphenyl)phenyl]pyrrolidine

3-[4-(3,5-dimethylphenyl)phenyl]pyrrolidine (PubChem CID 82297925) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[4-(3,5-dimethylphenyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[4-(3,5-dimethylphenyl)phenyl]pyrrolidine
PubChem CID82297925
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name3-[4-(3,5-dimethylphenyl)phenyl]pyrrolidine
SMILESCc1cc(C)cc(-c2ccc(C3CCNC3)cc2)c1
InChIInChI=1S/C18H21N/c1-13-9-14(2)11-18(10-13)16-5-3-15(4-6-16)17-7-8-19-12-17/h3-6,9-11,17,19H,7-8,12H2,1-2H3
InChIKeyYXSMPBXRZBGKTH-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(4-methylphenyl)phenyl]pyrrolidine
CID 82292012
3-[4-(4-methylphenyl)phenyl]azetidine
CID 154791478
ethane;4-(4-methylphenyl)piperidine
CID 145467036
ethane;3-phenylpyrrolidine
CID 91032726
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225
2-(4-pyrrolidin-3-ylphenyl)pyrrolidine
CID 116988431
(3S)-3-(4-chlorophenyl)pyrrolidine;hydrochloride
CID 71742220
4-(4-piperidin-4-ylphenyl)aniline
CID 116988069
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 71742224
3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride
CID 169498285
3-methyl-5-[(3S)-pyrrolidin-3-yl]pyridine
CID 96736316
N,N,2-trimethyl-5-pyrrolidin-3-ylaniline
CID 117116674

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-dimethylphenyl)phenyl]pyrrolidine?
The IUPAC name of 3-[4-(3,5-dimethylphenyl)phenyl]pyrrolidine (CID 82297925) is 3-[4-(3,5-dimethylphenyl)phenyl]pyrrolidine.
What is the SMILES notation for 3-[4-(3,5-dimethylphenyl)phenyl]pyrrolidine?
The canonical SMILES for 3-[4-(3,5-dimethylphenyl)phenyl]pyrrolidine is Cc1cc(C)cc(-c2ccc(C3CCNC3)cc2)c1.
What is the InChIKey of 3-[4-(3,5-dimethylphenyl)phenyl]pyrrolidine?
The InChIKey is YXSMPBXRZBGKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13-9-14(2)11-18(10-13)16-5-3-15(4-6-16)17-7-8-19-12-17/h3-6,9-11,17,19H,7-8,12H2,1-2H3.
What are the key properties of 3-[4-(3,5-dimethylphenyl)phenyl]pyrrolidine?
3-[4-(3,5-dimethylphenyl)phenyl]pyrrolidine has a molecular weight of 251.37 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-dimethylphenyl)phenyl]pyrrolidine is sourced from PubChem (CID 82297925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).