2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine

C15H22ClFN2 — CID 114843397

IUPAC2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine
SMILESCCCC1CCN(C(CN)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C15H22ClFN2/c1-2-3-11-6-7-19(10-11)15(9-18)13-5-4-12(16)8-14(13)17/h4-5,8,11,15H,2-3,6-7,9-10,18H2,1H3
InChIKeyITEQWTFSPWPZSA-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.60
Rot. Bonds5

About 2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine

2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine (PubChem CID 114843397) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine
PubChem CID114843397
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine
SMILESCCCC1CCN(C(CN)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C15H22ClFN2/c1-2-3-11-6-7-19(10-11)15(9-18)13-5-4-12(16)8-14(13)17/h4-5,8,11,15H,2-3,6-7,9-10,18H2,1H3
InChIKeyITEQWTFSPWPZSA-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine
CID 114843422
2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 114843208
2-(3-chloro-4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 81144547
2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 114842786
2-(4-chloro-2-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine
CID 114843418
2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114842840
3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine
CID 113417035
1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166284
2-(2-chloro-6-methoxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine
CID 104816433
(2S)-2-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552543
2-(2,5-dichlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 114076201
2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62199615

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine (CID 114843397) is 2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine is CCCC1CCN(C(CN)c2ccc(Cl)cc2F)C1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine?
The InChIKey is ITEQWTFSPWPZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-2-3-11-6-7-19(10-11)15(9-18)13-5-4-12(16)8-14(13)17/h4-5,8,11,15H,2-3,6-7,9-10,18H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine?
2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine has a molecular weight of 284.81 g/mol, XLogP of 3.60, 5 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-(3-propylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 114843397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).