2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)pyrrolidine

C14H20FN — CID 117316900

IUPAC2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)pyrrolidine
SMILESCc1cc(F)c(C(C)C)cc1C1CCCN1
InChIInChI=1S/C14H20FN/c1-9(2)11-8-12(10(3)7-13(11)15)14-5-4-6-16-14/h7-9,14,16H,4-6H2,1-3H3
InChIKeyGTNXHXKYKBBRQW-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.68
Rot. Bonds2

About 2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)pyrrolidine

2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)pyrrolidine (PubChem CID 117316900) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)pyrrolidine
PubChem CID117316900
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)pyrrolidine
SMILESCc1cc(F)c(C(C)C)cc1C1CCCN1
InChIInChI=1S/C14H20FN/c1-9(2)11-8-12(10(3)7-13(11)15)14-5-4-6-16-14/h7-9,14,16H,4-6H2,1-3H3
InChIKeyGTNXHXKYKBBRQW-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-methyl-5-piperidin-2-ylphenol
CID 84780709
(2S)-2-(4-chloro-2-fluoro-5-methylphenyl)pyrrolidine
CID 66518685
2-(3-fluoro-4-propan-2-ylphenyl)piperidine
CID 84788156
2-(4-chloro-2-methylphenyl)pyrrolidine
CID 55268605
(2R)-2-(2-fluoro-5-methylphenyl)pyrrolidine;hydrochloride
CID 66518747
(2R)-2-(2-fluoro-4-methylphenyl)pyrrolidine;hydrochloride
CID 171195863
2-[5-(difluoromethyl)-2-fluorophenyl]pyrrolidine
CID 77131569
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
2-(2-fluoro-5-methoxy-4-methylphenyl)piperidine
CID 84789182
2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine
CID 103693387
2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)pyrrolidine
CID 117356620
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)pyrrolidine?
The IUPAC name of 2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)pyrrolidine (CID 117316900) is 2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)pyrrolidine.
What is the SMILES notation for 2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)pyrrolidine?
The canonical SMILES for 2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)pyrrolidine is Cc1cc(F)c(C(C)C)cc1C1CCCN1.
What is the InChIKey of 2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)pyrrolidine?
The InChIKey is GTNXHXKYKBBRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-9(2)11-8-12(10(3)7-13(11)15)14-5-4-6-16-14/h7-9,14,16H,4-6H2,1-3H3.
What are the key properties of 2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)pyrrolidine?
2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)pyrrolidine has a molecular weight of 221.32 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methyl-5-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 117316900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).