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

C14H20ClFN2 — CID 114487997

IUPAC2-(3-chloro-2-fluorophenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1(C)CCN(C(CN)c2cccc(Cl)c2F)C1
InChIInChI=1S/C14H20ClFN2/c1-14(2)6-7-18(9-14)12(8-17)10-4-3-5-11(15)13(10)16/h3-5,12H,6-9,17H2,1-2H3
InChIKeyFHYRAPYOGWENEE-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.21
Rot. Bonds3

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

2-(3-chloro-2-fluorophenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanamine (PubChem CID 114487997) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanamine
PubChem CID114487997
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name2-(3-chloro-2-fluorophenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1(C)CCN(C(CN)c2cccc(Cl)c2F)C1
InChIInChI=1S/C14H20ClFN2/c1-14(2)6-7-18(9-14)12(8-17)10-4-3-5-11(15)13(10)16/h3-5,12H,6-9,17H2,1-2H3
InChIKeyFHYRAPYOGWENEE-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 114487782
2-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 114487916
2-(2-chloro-6-fluorophenyl)-2-(4,4-dimethylazepan-1-yl)ethanamine
CID 65283784
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-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 63157457
2-(4,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 62935471
2-(3-chloro-4-fluorophenyl)-2-(3,3-dimethylpiperidin-1-yl)ethanamine
CID 81144771
2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine
CID 55157458
1-[2-amino-1-(2-bromophenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103355424
2-(3-chloro-2-fluorophenyl)-2-methoxyethanamine
CID 114489137

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanamine (CID 114487997) is 2-(3-chloro-2-fluorophenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanamine is CC1(C)CCN(C(CN)c2cccc(Cl)c2F)C1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanamine?
The InChIKey is FHYRAPYOGWENEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-14(2)6-7-18(9-14)12(8-17)10-4-3-5-11(15)13(10)16/h3-5,12H,6-9,17H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanamine?
2-(3-chloro-2-fluorophenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanamine has a molecular weight of 270.78 g/mol, XLogP of 3.21, 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-(3,3-dimethylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 114487997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).