1-(2-fluorophenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine

C15H23FN2 — CID 114058299

IUPAC1-(2-fluorophenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
SMILESCC(C)C1CCN(CC(N)c2ccccc2F)C1
InChIInChI=1S/C15H23FN2/c1-11(2)12-7-8-18(9-12)10-15(17)13-5-3-4-6-14(13)16/h3-6,11-12,15H,7-10,17H2,1-2H3
InChIKeySYGCILYVORTFOH-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.80
Rot. Bonds4

About 1-(2-fluorophenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine

1-(2-fluorophenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine (PubChem CID 114058299) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
PubChem CID114058299
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-(2-fluorophenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
SMILESCC(C)C1CCN(CC(N)c2ccccc2F)C1
InChIInChI=1S/C15H23FN2/c1-11(2)12-7-8-18(9-12)10-15(17)13-5-3-4-6-14(13)16/h3-6,11-12,15H,7-10,17H2,1-2H3
InChIKeySYGCILYVORTFOH-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103495074
1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 107521976
1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505296
4-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)butan-2-amine
CID 114929839
2-(2-ethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine
CID 114058265
2-fluoro-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]aniline
CID 113417882
2-(3,3-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine
CID 114058293
1-(2-fluorophenyl)propan-1-amine
CID 18439474
1-(2-fluorophenyl)-2-methyl-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 112679785
(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine
CID 94457975
[1-[3-amino-3-(2-fluorophenyl)propyl]piperidin-4-yl]methanol
CID 62644418
1-[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-N,N-dimethylpiperidin-3-amine
CID 115996985

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 1-(2-fluorophenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine (CID 114058299) is 1-(2-fluorophenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine is CC(C)C1CCN(CC(N)c2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine?
The InChIKey is SYGCILYVORTFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11(2)12-7-8-18(9-12)10-15(17)13-5-3-4-6-14(13)16/h3-6,11-12,15H,7-10,17H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine?
1-(2-fluorophenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine has a molecular weight of 250.36 g/mol, XLogP of 2.80, 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-(3-propan-2-ylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 114058299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).