1-(2-fluorophenyl)-1-(2-methylpyrrolidin-1-yl)butan-2-amine

C15H23FN2 — CID 55019169

IUPAC1-(2-fluorophenyl)-1-(2-methylpyrrolidin-1-yl)butan-2-amine
SMILESCCC(N)C(c1ccccc1F)N1CCCC1C
InChIInChI=1S/C15H23FN2/c1-3-14(17)15(18-10-6-7-11(18)2)12-8-4-5-9-13(12)16/h4-5,8-9,11,14-15H,3,6-7,10,17H2,1-2H3
InChIKeyHTXMCOWJJDOMCE-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.09
Rot. Bonds4

About 1-(2-fluorophenyl)-1-(2-methylpyrrolidin-1-yl)butan-2-amine

1-(2-fluorophenyl)-1-(2-methylpyrrolidin-1-yl)butan-2-amine (PubChem CID 55019169) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-(2-methylpyrrolidin-1-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-(2-methylpyrrolidin-1-yl)butan-2-amine
PubChem CID55019169
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-(2-fluorophenyl)-1-(2-methylpyrrolidin-1-yl)butan-2-amine
SMILESCCC(N)C(c1ccccc1F)N1CCCC1C
InChIInChI=1S/C15H23FN2/c1-3-14(17)15(18-10-6-7-11(18)2)12-8-4-5-9-13(12)16/h4-5,8-9,11,14-15H,3,6-7,10,17H2,1-2H3
InChIKeyHTXMCOWJJDOMCE-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

1-(2-ethylazepan-1-yl)-1-(2-fluorophenyl)butan-2-amine
CID 104688989
1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505296
1-(2,3-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)butan-2-amine
CID 62124586
1-(2-ethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018825
1-(4-bromophenyl)-1-(2-methylpiperidin-1-yl)butan-2-amine
CID 55015972
1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62643379
2-(2,3-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 55233922
1-(3-ethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018925
1-cyclopentyloxy-1-(2-fluorophenyl)butan-2-amine
CID 55018597
2-(2-methylpyrrolidin-1-yl)-1-phenylbutan-1-amine
CID 54882608
1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 62545323
2-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 60974674

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-(2-methylpyrrolidin-1-yl)butan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-1-(2-methylpyrrolidin-1-yl)butan-2-amine (CID 55019169) is 1-(2-fluorophenyl)-1-(2-methylpyrrolidin-1-yl)butan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-1-(2-methylpyrrolidin-1-yl)butan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-1-(2-methylpyrrolidin-1-yl)butan-2-amine is CCC(N)C(c1ccccc1F)N1CCCC1C.
What is the InChIKey of 1-(2-fluorophenyl)-1-(2-methylpyrrolidin-1-yl)butan-2-amine?
The InChIKey is HTXMCOWJJDOMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-14(17)15(18-10-6-7-11(18)2)12-8-4-5-9-13(12)16/h4-5,8-9,11,14-15H,3,6-7,10,17H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-1-(2-methylpyrrolidin-1-yl)butan-2-amine?
1-(2-fluorophenyl)-1-(2-methylpyrrolidin-1-yl)butan-2-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)-1-(2-methylpyrrolidin-1-yl)butan-2-amine is sourced from PubChem (CID 55019169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).