N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine

C9H19FN2 — CID 80693865

IUPACN-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(CN1CCCC1)NCCF
InChIInChI=1S/C9H19FN2/c1-9(11-5-4-10)8-12-6-2-3-7-12/h9,11H,2-8H2,1H3
InChIKeyUNJCKAIMWGHDFP-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.03
Rot. Bonds5

About N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine

N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 80693865) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID80693865
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC NameN-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(CN1CCCC1)NCCF
InChIInChI=1S/C9H19FN2/c1-9(11-5-4-10)8-12-6-2-3-7-12/h9,11H,2-8H2,1H3
InChIKeyUNJCKAIMWGHDFP-UHFFFAOYSA-N
XLogP1.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoroethyl)-1-morpholin-4-ylpropan-2-amine
CID 80694695
3-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
CID 43434983
5-(1-pyrrolidin-1-ylpropan-2-ylamino)pentan-1-ol
CID 62228276
N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine
CID 114525110
N-(1-piperidin-1-ylpropan-2-yl)hexan-1-amine
CID 43749038
N-(3-methylsulfanylpropyl)-1-piperidin-1-ylpropan-2-amine
CID 43434982
N-(3-fluoropropyl)-1-morpholin-4-ylpropan-2-amine
CID 81105734
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 104561963
N-methyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
CID 62324218
N-[2-(2-methylpropoxy)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 106451807
N-(3-ethylsulfonylpropyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 65093417
1-morpholin-4-yl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 54965105

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine (CID 80693865) is N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine is CC(CN1CCCC1)NCCF.
What is the InChIKey of N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is UNJCKAIMWGHDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-9(11-5-4-10)8-12-6-2-3-7-12/h9,11H,2-8H2,1H3.
What are the key properties of N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine?
N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 174.26 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 80693865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).