1-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine

C14H20F2N2 — CID 43203398

IUPAC1-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
SMILESCC(NCCN1CCCC1)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2/c1-11(13-10-12(15)4-5-14(13)16)17-6-9-18-7-2-3-8-18/h4-5,10-11,17H,2-3,6-9H2,1H3
InChIKeyTTZWXOFEQBMXIQ-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.71
Rot. Bonds5

About 1-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine

1-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine (PubChem CID 43203398) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
PubChem CID43203398
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
SMILESCC(NCCN1CCCC1)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2/c1-11(13-10-12(15)4-5-14(13)16)17-6-9-18-7-2-3-8-18/h4-5,10-11,17H,2-3,6-9H2,1H3
InChIKeyTTZWXOFEQBMXIQ-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43203819
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43181599
1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178928
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
1-(5-bromo-2-fluorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 82963871
N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 55176100
1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 63983699
4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol
CID 64912368
N-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine
CID 61240183
N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine
CID 115325076
N-[1-(2,5-difluorophenyl)ethyl]-3-methylsulfinylpropan-1-amine
CID 115720905
N-[1-(2,5-difluorophenyl)ethyl]pent-3-yn-1-amine
CID 104758066

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine (CID 43203398) is 1-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine is CC(NCCN1CCCC1)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The InChIKey is TTZWXOFEQBMXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-11(13-10-12(15)4-5-14(13)16)17-6-9-18-7-2-3-8-18/h4-5,10-11,17H,2-3,6-9H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine?
1-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine has a molecular weight of 254.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine is sourced from PubChem (CID 43203398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).