N-(2-fluoroethyl)-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine

C12H25FN2 — CID 176601313

IUPACN-(2-fluoroethyl)-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine
SMILESCC1CNC(CCN(CCF)C(C)C)C1
InChIInChI=1S/C12H25FN2/c1-10(2)15(7-5-13)6-4-12-8-11(3)9-14-12/h10-12,14H,4-9H2,1-3H3
InChIKeyBCZHTNHENLMBIQ-UHFFFAOYSA-N
MW216.34 g/mol
LogP2.05
Rot. Bonds6

About N-(2-fluoroethyl)-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine

N-(2-fluoroethyl)-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine (PubChem CID 176601313) has the molecular formula C12H25FN2 and a molecular weight of 216.34 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine
PubChem CID176601313
Molecular FormulaC12H25FN2
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC NameN-(2-fluoroethyl)-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine
SMILESCC1CNC(CCN(CCF)C(C)C)C1
InChIInChI=1S/C12H25FN2/c1-10(2)15(7-5-13)6-4-12-8-11(3)9-14-12/h10-12,14H,4-9H2,1-3H3
InChIKeyBCZHTNHENLMBIQ-UHFFFAOYSA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine?
The IUPAC name of N-(2-fluoroethyl)-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine (CID 176601313) is N-(2-fluoroethyl)-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-(2-fluoroethyl)-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine?
The canonical SMILES for N-(2-fluoroethyl)-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine is CC1CNC(CCN(CCF)C(C)C)C1.
What is the InChIKey of N-(2-fluoroethyl)-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine?
The InChIKey is BCZHTNHENLMBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2/c1-10(2)15(7-5-13)6-4-12-8-11(3)9-14-12/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N-(2-fluoroethyl)-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine?
N-(2-fluoroethyl)-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine has a molecular weight of 216.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 176601313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).