2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethanamine

C12H16F2N2 — CID 173158939

IUPAC2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethanamine
SMILESNC(Cc1cc(F)ccc1F)C1CCCN1
InChIInChI=1S/C12H16F2N2/c13-9-3-4-10(14)8(6-9)7-11(15)12-2-1-5-16-12/h3-4,6,11-12,16H,1-2,5,7,15H2
InChIKeyDUBRHRRZOCXQQH-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.59
Rot. Bonds3

About 2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethanamine

2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethanamine (PubChem CID 173158939) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethanamine
PubChem CID173158939
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethanamine
SMILESNC(Cc1cc(F)ccc1F)C1CCCN1
InChIInChI=1S/C12H16F2N2/c13-9-3-4-10(14)8(6-9)7-11(15)12-2-1-5-16-12/h3-4,6,11-12,16H,1-2,5,7,15H2
InChIKeyDUBRHRRZOCXQQH-UHFFFAOYSA-N
XLogP1.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-1-piperidin-2-ylethanol
CID 106634597
1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine
CID 64986442
2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine
CID 83911133
2-[2-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine
CID 106640367
(4-fluorophenyl)-piperidin-2-ylmethanamine
CID 116935636
1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol
CID 103456708
4-[2-(2,5-difluorophenyl)-1-fluoroethyl]piperidine
CID 112563707
2-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine
CID 62333624
(1R)-2-(2,5-difluorophenyl)-1-[1-(2,6-dimethyl-3-pyridinyl)piperidin-4-yl]ethanamine
CID 53321499
2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride
CID 170891936
2-(2,5-difluorophenyl)-1-(3-methyloxan-4-yl)ethanamine
CID 114241906
2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine
CID 114104181

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethanamine (CID 173158939) is 2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethanamine is NC(Cc1cc(F)ccc1F)C1CCCN1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethanamine?
The InChIKey is DUBRHRRZOCXQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c13-9-3-4-10(14)8(6-9)7-11(15)12-2-1-5-16-12/h3-4,6,11-12,16H,1-2,5,7,15H2.
What are the key properties of 2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethanamine?
2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethanamine has a molecular weight of 226.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethanamine is sourced from PubChem (CID 173158939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).