2-(5-chloro-2-fluorophenyl)-1-methylpyrrolidin-3-amine

C11H14ClFN2 — CID 114866692

IUPAC2-(5-chloro-2-fluorophenyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(N)C1c1cc(Cl)ccc1F
InChIInChI=1S/C11H14ClFN2/c1-15-5-4-10(14)11(15)8-6-7(12)2-3-9(8)13/h2-3,6,10-11H,4-5,14H2,1H3
InChIKeyPBWJPMDWJNCLBZ-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.18
Rot. Bonds1

About 2-(5-chloro-2-fluorophenyl)-1-methylpyrrolidin-3-amine

2-(5-chloro-2-fluorophenyl)-1-methylpyrrolidin-3-amine (PubChem CID 114866692) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-methylpyrrolidin-3-amine
PubChem CID114866692
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(N)C1c1cc(Cl)ccc1F
InChIInChI=1S/C11H14ClFN2/c1-15-5-4-10(14)11(15)8-6-7(12)2-3-9(8)13/h2-3,6,10-11H,4-5,14H2,1H3
InChIKeyPBWJPMDWJNCLBZ-UHFFFAOYSA-N
XLogP2.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine
CID 114866715
N-[[2-(5-chloro-2-fluorophenyl)-1-methylazepan-3-yl]methyl]ethanamine
CID 114866623
(2R,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-amine
CID 124709830
[1-methyl-2-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine
CID 114058116
[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
CID 66161524
1-methyl-2-(3-methyl-4-pyridinyl)pyrrolidin-3-amine
CID 131107836
2-(2-fluoro-5-methylphenyl)-1-propylpiperidin-3-amine
CID 114055150
2-(2,5-difluorophenyl)-1-methylazetidine
CID 68991011
(2R,3S)-2-(4-chloro-3-fluorophenyl)-1-propylpyrrolidin-3-amine
CID 178196605
[2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine
CID 114075917
(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 95359042
(3R,4S)-4-(5-chloro-2-fluorophenyl)pyrrolidin-3-amine
CID 70647904

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-methylpyrrolidin-3-amine (CID 114866692) is 2-(5-chloro-2-fluorophenyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-methylpyrrolidin-3-amine is CN1CCC(N)C1c1cc(Cl)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-methylpyrrolidin-3-amine?
The InChIKey is PBWJPMDWJNCLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2/c1-15-5-4-10(14)11(15)8-6-7(12)2-3-9(8)13/h2-3,6,10-11H,4-5,14H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-methylpyrrolidin-3-amine?
2-(5-chloro-2-fluorophenyl)-1-methylpyrrolidin-3-amine has a molecular weight of 228.70 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 114866692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).