1-(3-chloro-2-fluorophenyl)-N-methylpyrrolidin-3-amine

C11H14ClFN2 — CID 60862142

IUPAC1-(3-chloro-2-fluorophenyl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2cccc(Cl)c2F)C1
InChIInChI=1S/C11H14ClFN2/c1-14-8-5-6-15(7-8)10-4-2-3-9(12)11(10)13/h2-4,8,14H,5-7H2,1H3
InChIKeyDDLDIAPWJVLPSM-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.28
Rot. Bonds2

About 1-(3-chloro-2-fluorophenyl)-N-methylpyrrolidin-3-amine

1-(3-chloro-2-fluorophenyl)-N-methylpyrrolidin-3-amine (PubChem CID 60862142) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-methylpyrrolidin-3-amine
PubChem CID60862142
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2cccc(Cl)c2F)C1
InChIInChI=1S/C11H14ClFN2/c1-14-8-5-6-15(7-8)10-4-2-3-9(12)11(10)13/h2-4,8,14H,5-7H2,1H3
InChIKeyDDLDIAPWJVLPSM-UHFFFAOYSA-N
XLogP2.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-methylpyrrolidin-3-amine (CID 60862142) is 1-(3-chloro-2-fluorophenyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-methylpyrrolidin-3-amine is CNC1CCN(c2cccc(Cl)c2F)C1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-methylpyrrolidin-3-amine?
The InChIKey is DDLDIAPWJVLPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2/c1-14-8-5-6-15(7-8)10-4-2-3-9(12)11(10)13/h2-4,8,14H,5-7H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-methylpyrrolidin-3-amine?
1-(3-chloro-2-fluorophenyl)-N-methylpyrrolidin-3-amine has a molecular weight of 228.70 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 60862142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).