1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine

C12H17FN2 — CID 116936082

IUPAC1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine
SMILESNC(CC1CCNC1)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2/c13-11-3-1-10(2-4-11)12(14)7-9-5-6-15-8-9/h1-4,9,12,15H,5-8,14H2
InChIKeyMKDQVTNLCLLZRZ-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.83
Rot. Bonds3

About 1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine

1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine (PubChem CID 116936082) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine
PubChem CID116936082
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine
SMILESNC(CC1CCNC1)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2/c13-11-3-1-10(2-4-11)12(14)7-9-5-6-15-8-9/h1-4,9,12,15H,5-8,14H2
InChIKeyMKDQVTNLCLLZRZ-UHFFFAOYSA-N
XLogP1.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
2-pyrrolidin-3-yl-1-(1H-pyrrol-3-yl)ethanamine
CID 116936135
1-(4-chlorophenyl)-2-piperidin-3-ylethanamine
CID 116936332
1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine
CID 116936470
2-pyrrolidin-3-yl-1-thiophen-2-ylethanamine
CID 116936073
3-[2-(4-chlorophenyl)-2-fluoroethyl]pyrrolidine
CID 105485073
3-[2-(4-fluorophenoxy)propyl]pyrrolidine
CID 105480864
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanamine
CID 116935942
1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906832
1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine
CID 116936338

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine?
The IUPAC name of 1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine (CID 116936082) is 1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine is NC(CC1CCNC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine?
The InChIKey is MKDQVTNLCLLZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c13-11-3-1-10(2-4-11)12(14)7-9-5-6-15-8-9/h1-4,9,12,15H,5-8,14H2.
What are the key properties of 1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine?
1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine has a molecular weight of 208.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine is sourced from PubChem (CID 116936082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).