2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine

C14H20ClFN2 — CID 114487916

IUPAC2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1(C)CCCN1C(CN)c1cccc(Cl)c1F
InChIInChI=1S/C14H20ClFN2/c1-14(2)7-4-8-18(14)12(9-17)10-5-3-6-11(15)13(10)16/h3,5-6,12H,4,7-9,17H2,1-2H3
InChIKeyJJDNFSAFJBWWNA-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.35
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine

2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine (PubChem CID 114487916) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
PubChem CID114487916
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1(C)CCCN1C(CN)c1cccc(Cl)c1F
InChIInChI=1S/C14H20ClFN2/c1-14(2)7-4-8-18(14)12(9-17)10-5-3-6-11(15)13(10)16/h3,5-6,12H,4,7-9,17H2,1-2H3
InChIKeyJJDNFSAFJBWWNA-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-2-(4,4-dimethylazepan-1-yl)ethanamine
CID 114487946
2-(3-chloro-2-fluorophenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanamine
CID 114487997
2-(3-chloro-2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 114487782
2-(3-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63216309
2-(3-chloro-2-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 114487914
2-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 114487903
2-(2-chloro-6-fluorophenyl)-2-(4,4-dimethylazepan-1-yl)ethanamine
CID 65283784
2-(3,5-dichlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63216072
2-(3-bromophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63215857
2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 63157457
2-(2,2-dimethylpyrrolidin-1-yl)-2-(5-ethylfuran-2-yl)ethanamine
CID 55162702
2-(5-bromothiophen-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63216262

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine (CID 114487916) is 2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine is CC1(C)CCCN1C(CN)c1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The InChIKey is JJDNFSAFJBWWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-14(2)7-4-8-18(14)12(9-17)10-5-3-6-11(15)13(10)16/h3,5-6,12H,4,7-9,17H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine has a molecular weight of 270.78 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 114487916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).