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

C11H14ClFN2 — CID 103818356

IUPACN-(3-chloro-5-fluorophenyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(Nc2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C11H14ClFN2/c1-15-3-2-10(7-15)14-11-5-8(12)4-9(13)6-11/h4-6,10,14H,2-3,7H2,1H3
InChIKeyUYEZXAYXXIPNBW-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.60
Rot. Bonds2

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

N-(3-chloro-5-fluorophenyl)-1-methylpyrrolidin-3-amine (PubChem CID 103818356) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-1-methylpyrrolidin-3-amine
PubChem CID103818356
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC NameN-(3-chloro-5-fluorophenyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(Nc2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C11H14ClFN2/c1-15-3-2-10(7-15)14-11-5-8(12)4-9(13)6-11/h4-6,10,14H,2-3,7H2,1H3
InChIKeyUYEZXAYXXIPNBW-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-1-methylpyrrolidin-3-amine (CID 103818356) is N-(3-chloro-5-fluorophenyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-1-methylpyrrolidin-3-amine is CN1CCC(Nc2cc(F)cc(Cl)c2)C1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-1-methylpyrrolidin-3-amine?
The InChIKey is UYEZXAYXXIPNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2/c1-15-3-2-10(7-15)14-11-5-8(12)4-9(13)6-11/h4-6,10,14H,2-3,7H2,1H3.
What are the key properties of N-(3-chloro-5-fluorophenyl)-1-methylpyrrolidin-3-amine?
N-(3-chloro-5-fluorophenyl)-1-methylpyrrolidin-3-amine has a molecular weight of 228.70 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 103818356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).