1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine

C15H23FN2 — CID 79068482

IUPAC1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)c1ccccc1F)N1CCCC1
InChIInChI=1S/C15H23FN2/c1-3-15(2,18-10-6-7-11-18)14(17)12-8-4-5-9-13(12)16/h4-5,8-9,14H,3,6-7,10-11,17H2,1-2H3
InChIKeyRYERNOOSSHKMRX-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.09
Rot. Bonds4

About 1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine

1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 79068482) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID79068482
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)c1ccccc1F)N1CCCC1
InChIInChI=1S/C15H23FN2/c1-3-15(2,18-10-6-7-11-18)14(17)12-8-4-5-9-13(12)16/h4-5,8-9,14H,3,6-7,10-11,17H2,1-2H3
InChIKeyRYERNOOSSHKMRX-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069491
2-methyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 79068641
1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 106645806
1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 113447268
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069250
1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79065070
1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 104738438
1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 105395170
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114745701
1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79060283
1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 106881723
2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 79060271

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine (CID 79068482) is 1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine is CCC(C)(C(N)c1ccccc1F)N1CCCC1.
What is the InChIKey of 1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is RYERNOOSSHKMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-15(2,18-10-6-7-11-18)14(17)12-8-4-5-9-13(12)16/h4-5,8-9,14H,3,6-7,10-11,17H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine?
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 250.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 79068482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).