2-fluoro-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]aniline

C14H21FN2 — CID 113417882

IUPAC2-fluoro-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]aniline
SMILESCC(C)C1CCN(Cc2cccc(F)c2N)C1
InChIInChI=1S/C14H21FN2/c1-10(2)11-6-7-17(8-11)9-12-4-3-5-13(15)14(12)16/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyLSZLSFYDWXNTEL-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.89
Rot. Bonds3

About 2-fluoro-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]aniline

2-fluoro-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]aniline (PubChem CID 113417882) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-fluoro-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]aniline
PubChem CID113417882
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-fluoro-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]aniline
SMILESCC(C)C1CCN(Cc2cccc(F)c2N)C1
InChIInChI=1S/C14H21FN2/c1-10(2)11-6-7-17(8-11)9-12-4-3-5-13(15)14(12)16/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyLSZLSFYDWXNTEL-UHFFFAOYSA-N
XLogP2.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 107115694
2-amino-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 104824862
2-fluoro-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 103912370
2-fluoro-N'-hydroxy-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 107117406
5-bromo-2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]aniline
CID 113417884
4-fluoro-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 113254203
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630234
1-(2-fluorophenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 114058299
1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 104869878
1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767
1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975682
2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline
CID 107274590

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]aniline?
The IUPAC name of 2-fluoro-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]aniline (CID 113417882) is 2-fluoro-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]aniline.
What is the SMILES notation for 2-fluoro-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]aniline?
The canonical SMILES for 2-fluoro-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]aniline is CC(C)C1CCN(Cc2cccc(F)c2N)C1.
What is the InChIKey of 2-fluoro-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]aniline?
The InChIKey is LSZLSFYDWXNTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10(2)11-6-7-17(8-11)9-12-4-3-5-13(15)14(12)16/h3-5,10-11H,6-9,16H2,1-2H3.
What are the key properties of 2-fluoro-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]aniline?
2-fluoro-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]aniline has a molecular weight of 236.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]aniline is sourced from PubChem (CID 113417882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).