1-[1-[1-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanamine

C14H20F2N2 — CID 103975691

IUPAC1-[1-[1-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(C(C)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H20F2N2/c1-9(17)11-3-4-18(8-11)10(2)12-5-13(15)7-14(16)6-12/h5-7,9-11H,3-4,8,17H2,1-2H3
InChIKeyZTQPTCQZMDORMC-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.69
Rot. Bonds3

About 1-[1-[1-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanamine

1-[1-[1-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanamine (PubChem CID 103975691) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[1-[1-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[1-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanamine
PubChem CID103975691
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-[1-[1-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(C(C)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H20F2N2/c1-9(17)11-3-4-18(8-11)10(2)12-5-13(15)7-14(16)6-12/h5-7,9-11H,3-4,8,17H2,1-2H3
InChIKeyZTQPTCQZMDORMC-UHFFFAOYSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[1-(4-nitrophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630141
(1R)-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 140940785
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(3,5-difluorophenyl)acetamide
CID 115969204
1-[1-[1-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630096
1-[1-[1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975586
1-[1-[1-(2-bromophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630248
1-[1-[1-(1-phenylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975704
1-[1-[1-(5-chlorothiophen-3-yl)ethyl]piperidin-3-yl]ethanamine
CID 114082900
1-[1-[1-(3,4-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanol
CID 110019990
1-[1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975488
1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine
CID 82970687
1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925793

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[1-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanamine (CID 103975691) is 1-[1-[1-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[1-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[1-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(C(C)c2cc(F)cc(F)c2)C1.
What is the InChIKey of 1-[1-[1-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is ZTQPTCQZMDORMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-9(17)11-3-4-18(8-11)10(2)12-5-13(15)7-14(16)6-12/h5-7,9-11H,3-4,8,17H2,1-2H3.
What are the key properties of 1-[1-[1-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanamine?
1-[1-[1-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 254.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103975691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).