1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine

C14H21FN2 — CID 43181599

IUPAC1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
SMILESCC(NCCN1CCCC1)c1ccccc1F
InChIInChI=1S/C14H21FN2/c1-12(13-6-2-3-7-14(13)15)16-8-11-17-9-4-5-10-17/h2-3,6-7,12,16H,4-5,8-11H2,1H3
InChIKeyCKZOEJAVWYGVLY-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.57
Rot. Bonds5

About 1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine

1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine (PubChem CID 43181599) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
PubChem CID43181599
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
SMILESCC(NCCN1CCCC1)c1ccccc1F
InChIInChI=1S/C14H21FN2/c1-12(13-6-2-3-7-14(13)15)16-8-11-17-9-4-5-10-17/h2-3,6-7,12,16H,4-5,8-11H2,1H3
InChIKeyCKZOEJAVWYGVLY-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43203398
N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 61239803
N-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203849
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657896
N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43096146
N-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43203819
3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine
CID 62645138
1-[1-(2-fluorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide
CID 3231011
1-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178907
1-(azepan-1-yl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanone
CID 81380441
3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine
CID 62644973
N-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine
CID 61240183

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine (CID 43181599) is 1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine is CC(NCCN1CCCC1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The InChIKey is CKZOEJAVWYGVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-12(13-6-2-3-7-14(13)15)16-8-11-17-9-4-5-10-17/h2-3,6-7,12,16H,4-5,8-11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine?
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine has a molecular weight of 236.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine is sourced from PubChem (CID 43181599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).