2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine

C12H16ClFN2 — CID 114842786

IUPAC2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine
SMILESNCC(c1ccc(Cl)cc1F)N1CCCC1
InChIInChI=1S/C12H16ClFN2/c13-9-3-4-10(11(14)7-9)12(8-15)16-5-1-2-6-16/h3-4,7,12H,1-2,5-6,8,15H2
InChIKeyWRRMBBRWMXLCNB-UHFFFAOYSA-N
MW242.72 g/mol
LogP2.57
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine

2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 114842786) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine
PubChem CID114842786
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine
SMILESNCC(c1ccc(Cl)cc1F)N1CCCC1
InChIInChI=1S/C12H16ClFN2/c13-9-3-4-10(11(14)7-9)12(8-15)16-5-1-2-6-16/h3-4,7,12H,1-2,5-6,8,15H2
InChIKeyWRRMBBRWMXLCNB-UHFFFAOYSA-N
XLogP2.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114842840
(2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 93285194
2-(4-chloro-2-fluorophenyl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanamine
CID 107454238
2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 114843208
2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine
CID 114843422
2-(azepan-1-yl)-2-(3,5-dichlorophenyl)ethanamine
CID 60788814
2-(4-chloro-2-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine
CID 114843418
2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine
CID 114843397
2-(5-chloro-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 114843187
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114843235
2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol
CID 116860133
2-(4-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
CID 62136156

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine (CID 114842786) is 2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine is NCC(c1ccc(Cl)cc1F)N1CCCC1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is WRRMBBRWMXLCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c13-9-3-4-10(11(14)7-9)12(8-15)16-5-1-2-6-16/h3-4,7,12H,1-2,5-6,8,15H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine?
2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 242.72 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 114842786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).